USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -161:sc= -0.0933 (180deg=-0.627) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.542 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 97:sc= -1.16 USER MOD Single : A 13 ASN : amide:sc= -0.914 K(o=-0.91,f=-7.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.485 K(o=-0.48,f=-1.9) USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.306) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.034) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -135:sc= -0.43 (180deg=-2.88!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0994 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 160:sc= -0.893 USER MOD Single : A 56 SER OG : rot -53:sc= 1.1 USER MOD Single : A 61 GLN : amide:sc= -0.39 K(o=-0.39,f=-4.3!) USER MOD Single : A 65 ASN : amide:sc= -1.23! K(o=-1.2!,f=-0.6) USER MOD Single : A 70 THR OG1 : rot -136:sc= -1.42 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -157:sc= -0.293 (180deg=-1.34) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.32 K(o=-1.3,f=-1.9) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 30:sc= 0.58 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.718 12.679 24.152 1.00 0.00 N ATOM 2 CA VAL A 1 1.234 12.551 25.544 1.00 0.00 C ATOM 3 C VAL A 1 2.525 13.347 25.702 1.00 0.00 C ATOM 4 O VAL A 1 3.619 12.803 25.558 1.00 0.00 O ATOM 5 CB VAL A 1 1.487 11.088 25.898 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.979 10.963 27.337 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.220 10.262 25.691 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.289 12.421 24.130 1.00 0.00 H new ATOM 0 H2 VAL A 1 0.831 13.661 23.829 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.252 12.045 23.524 1.00 0.00 H new ATOM 0 HA VAL A 1 0.479 12.948 26.222 1.00 0.00 H new ATOM 0 HB VAL A 1 2.262 10.702 25.236 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.154 9.913 27.572 1.00 0.00 H new ATOM 0 HG12 VAL A 1 2.908 11.521 27.454 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.227 11.366 28.015 1.00 0.00 H new ATOM 0 HG21 VAL A 1 0.418 9.221 25.948 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.575 10.648 26.329 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -0.089 10.326 24.648 1.00 0.00 H new ATOM 19 N PRO A 2 2.411 14.653 26.000 1.00 0.00 N ATOM 20 CA PRO A 2 3.577 15.529 26.178 1.00 0.00 C ATOM 21 C PRO A 2 4.263 15.309 27.522 1.00 0.00 C ATOM 22 O PRO A 2 3.604 15.199 28.556 1.00 0.00 O ATOM 23 CB PRO A 2 2.998 16.934 26.093 1.00 0.00 C ATOM 24 CG PRO A 2 1.562 16.800 26.488 1.00 0.00 C ATOM 25 CD PRO A 2 1.143 15.380 26.187 1.00 0.00 C ATOM 0 HA PRO A 2 4.346 15.335 25.430 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.526 17.617 26.759 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.091 17.336 25.084 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.433 17.022 27.547 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.944 17.508 25.936 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.560 14.957 27.005 1.00 0.00 H new ATOM 0 HD3 PRO A 2 0.522 15.331 25.293 1.00 0.00 H new ATOM 33 N LYS A 3 5.590 15.248 27.498 1.00 0.00 N ATOM 34 CA LYS A 3 6.373 15.042 28.713 1.00 0.00 C ATOM 35 C LYS A 3 7.300 16.227 28.951 1.00 0.00 C ATOM 36 O LYS A 3 8.469 16.201 28.564 1.00 0.00 O ATOM 37 CB LYS A 3 7.190 13.758 28.596 1.00 0.00 C ATOM 38 CG LYS A 3 7.820 13.628 27.212 1.00 0.00 C ATOM 39 CD LYS A 3 8.872 12.522 27.182 1.00 0.00 C ATOM 40 CE LYS A 3 9.977 12.842 26.179 1.00 0.00 C ATOM 41 NZ LYS A 3 11.276 12.239 26.593 1.00 0.00 N ATOM 0 H LYS A 3 6.148 15.338 26.649 1.00 0.00 H new ATOM 0 HA LYS A 3 5.691 14.955 29.558 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.971 13.751 29.356 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.549 12.898 28.789 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.045 13.415 26.476 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.278 14.576 26.928 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.303 12.399 28.176 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.401 11.575 26.919 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.697 12.467 25.195 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.088 13.923 26.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.007 12.474 25.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.553 12.616 27.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.175 11.206 26.655 1.00 0.00 H new ATOM 55 N VAL A 4 6.772 17.268 29.588 1.00 0.00 N ATOM 56 CA VAL A 4 7.551 18.468 29.878 1.00 0.00 C ATOM 57 C VAL A 4 8.815 18.109 30.648 1.00 0.00 C ATOM 58 O VAL A 4 8.987 16.970 31.083 1.00 0.00 O ATOM 59 CB VAL A 4 6.713 19.451 30.689 1.00 0.00 C ATOM 60 CG1 VAL A 4 5.577 20.014 29.839 1.00 0.00 C ATOM 61 CG2 VAL A 4 6.162 18.779 31.944 1.00 0.00 C ATOM 0 H VAL A 4 5.806 17.305 29.914 1.00 0.00 H new ATOM 0 HA VAL A 4 7.836 18.933 28.934 1.00 0.00 H new ATOM 0 HB VAL A 4 7.354 20.277 30.996 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.990 20.713 30.434 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.992 20.532 28.974 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.937 19.199 29.501 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.567 19.496 32.509 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.536 17.933 31.659 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.989 18.427 32.561 1.00 0.00 H new ATOM 71 N THR A 5 9.699 19.088 30.812 1.00 0.00 N ATOM 72 CA THR A 5 10.953 18.879 31.529 1.00 0.00 C ATOM 73 C THR A 5 11.444 20.190 32.133 1.00 0.00 C ATOM 74 O THR A 5 11.423 21.232 31.479 1.00 0.00 O ATOM 75 CB THR A 5 12.006 18.317 30.578 1.00 0.00 C ATOM 76 OG1 THR A 5 12.047 19.091 29.389 1.00 0.00 O ATOM 77 CG2 THR A 5 11.709 16.859 30.242 1.00 0.00 C ATOM 0 H THR A 5 9.570 20.036 30.458 1.00 0.00 H new ATOM 0 HA THR A 5 10.781 18.166 32.336 1.00 0.00 H new ATOM 0 HB THR A 5 12.977 18.365 31.071 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.726 18.726 28.784 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.472 16.479 29.563 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.711 16.267 31.157 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.731 16.787 29.765 1.00 0.00 H new ATOM 85 N PHE A 6 11.886 20.131 33.386 1.00 0.00 N ATOM 86 CA PHE A 6 12.383 21.316 34.080 1.00 0.00 C ATOM 87 C PHE A 6 13.906 21.335 34.077 1.00 0.00 C ATOM 88 O PHE A 6 14.548 20.348 33.716 1.00 0.00 O ATOM 89 CB PHE A 6 11.868 21.333 35.517 1.00 0.00 C ATOM 90 CG PHE A 6 10.369 21.199 35.603 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.766 19.979 35.345 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.594 22.296 35.941 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.389 19.856 35.424 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.217 22.173 36.021 1.00 0.00 C ATOM 95 CZ PHE A 6 7.614 20.953 35.762 1.00 0.00 C ATOM 0 H PHE A 6 11.910 19.276 33.942 1.00 0.00 H new ATOM 0 HA PHE A 6 12.021 22.202 33.558 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.333 20.520 36.074 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.173 22.263 35.996 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.370 19.123 35.082 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.064 23.247 36.142 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.919 18.905 35.222 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.613 23.028 36.285 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.540 20.857 35.824 1.00 0.00 H new ATOM 105 N THR A 7 14.480 22.464 34.482 1.00 0.00 N ATOM 106 CA THR A 7 15.931 22.616 34.529 1.00 0.00 C ATOM 107 C THR A 7 16.316 23.719 35.504 1.00 0.00 C ATOM 108 O THR A 7 16.037 24.895 35.269 1.00 0.00 O ATOM 109 CB THR A 7 16.469 22.944 33.139 1.00 0.00 C ATOM 110 OG1 THR A 7 15.711 22.264 32.151 1.00 0.00 O ATOM 111 CG2 THR A 7 17.942 22.561 33.025 1.00 0.00 C ATOM 0 H THR A 7 13.961 23.289 34.783 1.00 0.00 H new ATOM 0 HA THR A 7 16.368 21.677 34.869 1.00 0.00 H new ATOM 0 HB THR A 7 16.380 24.019 32.980 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.062 22.481 31.262 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.305 22.804 32.026 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.520 23.114 33.765 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.055 21.491 33.202 1.00 0.00 H new ATOM 119 N VAL A 8 16.960 23.335 36.600 1.00 0.00 N ATOM 120 CA VAL A 8 17.386 24.293 37.614 1.00 0.00 C ATOM 121 C VAL A 8 18.305 25.340 36.998 1.00 0.00 C ATOM 122 O VAL A 8 19.521 25.156 36.940 1.00 0.00 O ATOM 123 CB VAL A 8 18.107 23.568 38.745 1.00 0.00 C ATOM 124 CG1 VAL A 8 18.474 24.546 39.857 1.00 0.00 C ATOM 125 CG2 VAL A 8 17.241 22.436 39.290 1.00 0.00 C ATOM 0 H VAL A 8 17.199 22.366 36.810 1.00 0.00 H new ATOM 0 HA VAL A 8 16.505 24.793 38.016 1.00 0.00 H new ATOM 0 HB VAL A 8 19.027 23.137 38.349 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.988 24.012 40.656 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.129 25.321 39.459 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.568 25.005 40.252 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.770 21.929 40.097 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.305 22.845 39.671 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.028 21.725 38.492 1.00 0.00 H new ATOM 135 N GLU A 9 17.716 26.439 36.538 1.00 0.00 N ATOM 136 CA GLU A 9 18.479 27.520 35.922 1.00 0.00 C ATOM 137 C GLU A 9 19.637 27.933 36.820 1.00 0.00 C ATOM 138 O GLU A 9 19.789 27.423 37.930 1.00 0.00 O ATOM 139 CB GLU A 9 17.569 28.718 35.667 1.00 0.00 C ATOM 140 CG GLU A 9 16.830 28.579 34.340 1.00 0.00 C ATOM 141 CD GLU A 9 17.781 28.829 33.177 1.00 0.00 C ATOM 142 OE1 GLU A 9 19.003 28.637 33.355 1.00 0.00 O ATOM 143 OE2 GLU A 9 17.304 29.217 32.090 1.00 0.00 O ATOM 0 H GLU A 9 16.711 26.605 36.580 1.00 0.00 H new ATOM 0 HA GLU A 9 18.882 27.165 34.973 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.848 28.809 36.479 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.161 29.633 35.662 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.399 27.581 34.259 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.002 29.287 34.301 1.00 0.00 H new ATOM 150 N LYS A 10 20.454 28.861 36.332 1.00 0.00 N ATOM 151 CA LYS A 10 21.602 29.345 37.089 1.00 0.00 C ATOM 152 C LYS A 10 21.138 30.127 38.311 1.00 0.00 C ATOM 153 O LYS A 10 19.941 30.346 38.501 1.00 0.00 O ATOM 154 CB LYS A 10 22.472 30.231 36.202 1.00 0.00 C ATOM 155 CG LYS A 10 23.085 29.431 35.056 1.00 0.00 C ATOM 156 CD LYS A 10 24.280 28.610 35.531 1.00 0.00 C ATOM 157 CE LYS A 10 25.153 28.173 34.359 1.00 0.00 C ATOM 158 NZ LYS A 10 26.315 27.362 34.821 1.00 0.00 N ATOM 0 H LYS A 10 20.342 29.293 35.415 1.00 0.00 H new ATOM 0 HA LYS A 10 22.188 28.489 37.424 1.00 0.00 H new ATOM 0 HB2 LYS A 10 21.873 31.048 35.799 1.00 0.00 H new ATOM 0 HB3 LYS A 10 23.265 30.682 36.799 1.00 0.00 H new ATOM 0 HG2 LYS A 10 22.332 28.768 34.629 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.399 30.110 34.263 1.00 0.00 H new ATOM 0 HD2 LYS A 10 24.874 29.199 36.230 1.00 0.00 H new ATOM 0 HD3 LYS A 10 23.928 27.732 36.073 1.00 0.00 H new ATOM 0 HE2 LYS A 10 24.557 27.591 33.656 1.00 0.00 H new ATOM 0 HE3 LYS A 10 25.511 29.052 33.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.889 27.080 34.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.896 27.927 35.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 25.972 26.512 35.312 1.00 0.00 H new ATOM 172 N GLY A 11 22.090 30.545 39.138 1.00 0.00 N ATOM 173 CA GLY A 11 21.778 31.303 40.345 1.00 0.00 C ATOM 174 C GLY A 11 20.710 30.593 41.166 1.00 0.00 C ATOM 175 O GLY A 11 19.718 31.201 41.570 1.00 0.00 O ATOM 0 H GLY A 11 23.085 30.372 38.995 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.680 31.430 40.944 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.432 32.301 40.075 1.00 0.00 H new ATOM 179 N SER A 12 20.917 29.303 41.410 1.00 0.00 N ATOM 180 CA SER A 12 19.970 28.508 42.183 1.00 0.00 C ATOM 181 C SER A 12 20.485 28.297 43.601 1.00 0.00 C ATOM 182 O SER A 12 21.665 28.014 43.809 1.00 0.00 O ATOM 183 CB SER A 12 19.748 27.159 41.505 1.00 0.00 C ATOM 184 OG SER A 12 18.578 27.191 40.703 1.00 0.00 O ATOM 0 H SER A 12 21.733 28.786 41.083 1.00 0.00 H new ATOM 0 HA SER A 12 19.023 29.045 42.232 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.611 26.909 40.889 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.658 26.377 42.259 1.00 0.00 H new ATOM 0 HG SER A 12 18.825 27.364 39.771 1.00 0.00 H new ATOM 190 N ASN A 13 19.591 28.436 44.575 1.00 0.00 N ATOM 191 CA ASN A 13 19.950 28.261 45.978 1.00 0.00 C ATOM 192 C ASN A 13 18.701 28.285 46.850 1.00 0.00 C ATOM 193 O ASN A 13 17.641 28.738 46.419 1.00 0.00 O ATOM 194 CB ASN A 13 20.908 29.366 46.412 1.00 0.00 C ATOM 195 CG ASN A 13 20.380 30.724 45.969 1.00 0.00 C ATOM 196 OD1 ASN A 13 19.591 31.355 46.672 1.00 0.00 O ATOM 197 ND2 ASN A 13 20.817 31.176 44.798 1.00 0.00 N ATOM 0 H ASN A 13 18.611 28.670 44.418 1.00 0.00 H new ATOM 0 HA ASN A 13 20.442 27.295 46.096 1.00 0.00 H new ATOM 0 HB2 ASN A 13 21.027 29.350 47.495 1.00 0.00 H new ATOM 0 HB3 ASN A 13 21.894 29.193 45.981 1.00 0.00 H new ATOM 0 HD21 ASN A 13 20.498 32.080 44.449 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.471 30.619 44.248 1.00 0.00 H new ATOM 204 N GLU A 14 18.831 27.793 48.078 1.00 0.00 N ATOM 205 CA GLU A 14 17.715 27.755 49.015 1.00 0.00 C ATOM 206 C GLU A 14 17.021 29.110 49.083 1.00 0.00 C ATOM 207 O GLU A 14 15.826 29.193 49.368 1.00 0.00 O ATOM 208 CB GLU A 14 18.218 27.362 50.399 1.00 0.00 C ATOM 209 CG GLU A 14 17.072 26.889 51.283 1.00 0.00 C ATOM 210 CD GLU A 14 17.602 26.424 52.633 1.00 0.00 C ATOM 211 OE1 GLU A 14 18.336 27.197 53.283 1.00 0.00 O ATOM 212 OE2 GLU A 14 17.282 25.286 53.038 1.00 0.00 O ATOM 0 H GLU A 14 19.702 27.414 48.448 1.00 0.00 H new ATOM 0 HA GLU A 14 16.994 27.015 48.666 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.962 26.571 50.308 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.714 28.214 50.865 1.00 0.00 H new ATOM 0 HG2 GLU A 14 16.356 27.698 51.425 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.539 26.074 50.794 1.00 0.00 H new ATOM 219 N LYS A 15 17.777 30.170 48.820 1.00 0.00 N ATOM 220 CA LYS A 15 17.233 31.523 48.853 1.00 0.00 C ATOM 221 C LYS A 15 16.455 31.813 47.576 1.00 0.00 C ATOM 222 O LYS A 15 15.522 32.615 47.576 1.00 0.00 O ATOM 223 CB LYS A 15 18.362 32.536 49.018 1.00 0.00 C ATOM 224 CG LYS A 15 18.178 33.365 50.285 1.00 0.00 C ATOM 225 CD LYS A 15 18.622 32.591 51.523 1.00 0.00 C ATOM 226 CE LYS A 15 17.462 32.383 52.492 1.00 0.00 C ATOM 227 NZ LYS A 15 17.729 33.032 53.807 1.00 0.00 N ATOM 0 H LYS A 15 18.767 30.119 48.582 1.00 0.00 H new ATOM 0 HA LYS A 15 16.554 31.606 49.702 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.319 32.015 49.057 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.393 33.195 48.150 1.00 0.00 H new ATOM 0 HG2 LYS A 15 18.752 34.288 50.205 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.131 33.649 50.387 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.027 31.624 51.224 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.425 33.132 52.024 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.548 32.792 52.061 1.00 0.00 H new ATOM 0 HE3 LYS A 15 17.295 31.316 52.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.922 32.872 54.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.588 32.623 54.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.864 34.054 53.669 1.00 0.00 H new ATOM 241 N HIS A 16 16.846 31.156 46.489 1.00 0.00 N ATOM 242 CA HIS A 16 16.183 31.345 45.202 1.00 0.00 C ATOM 243 C HIS A 16 16.251 30.068 44.374 1.00 0.00 C ATOM 244 O HIS A 16 17.331 29.528 44.133 1.00 0.00 O ATOM 245 CB HIS A 16 16.842 32.493 44.443 1.00 0.00 C ATOM 246 CG HIS A 16 16.282 33.831 44.816 1.00 0.00 C ATOM 247 ND1 HIS A 16 16.656 34.516 45.944 1.00 0.00 N ATOM 248 CD2 HIS A 16 15.364 34.628 44.211 1.00 0.00 C ATOM 249 CE1 HIS A 16 16.015 35.659 46.034 1.00 0.00 C ATOM 250 NE2 HIS A 16 15.213 35.763 44.987 1.00 0.00 N ATOM 0 H HIS A 16 17.617 30.489 46.473 1.00 0.00 H new ATOM 0 HA HIS A 16 15.136 31.587 45.381 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.914 32.485 44.640 1.00 0.00 H new ATOM 0 HB3 HIS A 16 16.713 32.336 43.372 1.00 0.00 H new ATOM 0 HD2 HIS A 16 14.845 34.414 43.289 1.00 0.00 H new ATOM 0 HE1 HIS A 16 16.124 36.387 46.825 1.00 0.00 H new ATOM 0 HE2 HIS A 16 14.590 36.546 44.786 1.00 0.00 H new ATOM 258 N LEU A 17 15.090 29.590 43.938 1.00 0.00 N ATOM 259 CA LEU A 17 15.012 28.375 43.132 1.00 0.00 C ATOM 260 C LEU A 17 14.571 28.712 41.712 1.00 0.00 C ATOM 261 O LEU A 17 13.376 28.808 41.430 1.00 0.00 O ATOM 262 CB LEU A 17 14.030 27.393 43.766 1.00 0.00 C ATOM 263 CG LEU A 17 14.457 25.945 43.535 1.00 0.00 C ATOM 264 CD1 LEU A 17 14.397 25.598 42.051 1.00 0.00 C ATOM 265 CD2 LEU A 17 15.860 25.704 44.085 1.00 0.00 C ATOM 0 H LEU A 17 14.188 30.026 44.129 1.00 0.00 H new ATOM 0 HA LEU A 17 15.999 27.915 43.092 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.961 27.586 44.836 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.036 27.551 43.349 1.00 0.00 H new ATOM 0 HG LEU A 17 13.763 25.295 44.068 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.705 24.562 41.907 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.377 25.727 41.688 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.066 26.256 41.496 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.146 24.667 43.911 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.566 26.365 43.582 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.871 25.908 45.156 1.00 0.00 H new ATOM 277 N ALA A 18 15.542 28.893 40.823 1.00 0.00 N ATOM 278 CA ALA A 18 15.258 29.224 39.429 1.00 0.00 C ATOM 279 C ALA A 18 15.266 27.966 38.570 1.00 0.00 C ATOM 280 O ALA A 18 16.238 27.211 38.562 1.00 0.00 O ATOM 281 CB ALA A 18 16.294 30.215 38.908 1.00 0.00 C ATOM 0 H ALA A 18 16.535 28.816 41.043 1.00 0.00 H new ATOM 0 HA ALA A 18 14.268 29.678 39.374 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.075 30.457 37.868 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.260 31.125 39.507 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.288 29.772 38.976 1.00 0.00 H new ATOM 287 N VAL A 19 14.174 27.751 37.844 1.00 0.00 N ATOM 288 CA VAL A 19 14.042 26.589 36.970 1.00 0.00 C ATOM 289 C VAL A 19 13.993 27.034 35.517 1.00 0.00 C ATOM 290 O VAL A 19 14.220 28.202 35.210 1.00 0.00 O ATOM 291 CB VAL A 19 12.773 25.818 37.321 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.821 25.337 38.768 1.00 0.00 C ATOM 293 CG2 VAL A 19 11.538 26.684 37.086 1.00 0.00 C ATOM 0 H VAL A 19 13.363 28.370 37.843 1.00 0.00 H new ATOM 0 HA VAL A 19 14.905 25.938 37.112 1.00 0.00 H new ATOM 0 HB VAL A 19 12.711 24.945 36.671 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.908 24.789 39.000 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.681 24.682 38.905 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.908 26.195 39.434 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.642 26.118 37.342 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.594 27.575 37.711 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.494 26.978 36.037 1.00 0.00 H new ATOM 303 N LEU A 20 13.693 26.098 34.628 1.00 0.00 N ATOM 304 CA LEU A 20 13.607 26.399 33.203 1.00 0.00 C ATOM 305 C LEU A 20 12.405 25.696 32.586 1.00 0.00 C ATOM 306 O LEU A 20 12.538 24.641 31.966 1.00 0.00 O ATOM 307 CB LEU A 20 14.889 25.969 32.496 1.00 0.00 C ATOM 308 CG LEU A 20 15.239 26.926 31.359 1.00 0.00 C ATOM 309 CD1 LEU A 20 16.630 26.620 30.811 1.00 0.00 C ATOM 310 CD2 LEU A 20 14.197 26.845 30.248 1.00 0.00 C ATOM 0 H LEU A 20 13.505 25.124 34.866 1.00 0.00 H new ATOM 0 HA LEU A 20 13.482 27.475 33.080 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.709 25.936 33.213 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.769 24.960 32.102 1.00 0.00 H new ATOM 0 HG LEU A 20 15.240 27.942 31.754 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.862 27.312 30.001 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.367 26.731 31.606 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.655 25.598 30.433 1.00 0.00 H new ATOM 0 HD21 LEU A 20 14.465 27.534 29.447 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.162 25.829 29.855 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.219 27.114 30.646 1.00 0.00 H new ATOM 322 N VAL A 21 11.230 26.292 32.763 1.00 0.00 N ATOM 323 CA VAL A 21 9.992 25.732 32.227 1.00 0.00 C ATOM 324 C VAL A 21 9.647 26.403 30.904 1.00 0.00 C ATOM 325 O VAL A 21 9.152 27.530 30.881 1.00 0.00 O ATOM 326 CB VAL A 21 8.840 25.931 33.219 1.00 0.00 C ATOM 327 CG1 VAL A 21 7.717 24.938 32.935 1.00 0.00 C ATOM 328 CG2 VAL A 21 9.321 25.791 34.663 1.00 0.00 C ATOM 0 H VAL A 21 11.108 27.166 33.275 1.00 0.00 H new ATOM 0 HA VAL A 21 10.138 24.664 32.064 1.00 0.00 H new ATOM 0 HB VAL A 21 8.457 26.943 33.089 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.907 25.092 33.647 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.344 25.091 31.922 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.097 23.921 33.032 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.481 25.937 35.342 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.739 24.796 34.812 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.086 26.540 34.866 1.00 0.00 H new ATOM 338 N LYS A 22 9.915 25.712 29.800 1.00 0.00 N ATOM 339 CA LYS A 22 9.633 26.256 28.475 1.00 0.00 C ATOM 340 C LYS A 22 9.626 25.152 27.425 1.00 0.00 C ATOM 341 O LYS A 22 8.593 24.872 26.817 1.00 0.00 O ATOM 342 CB LYS A 22 10.679 27.304 28.114 1.00 0.00 C ATOM 343 CG LYS A 22 10.042 28.505 27.420 1.00 0.00 C ATOM 344 CD LYS A 22 10.405 28.544 25.938 1.00 0.00 C ATOM 345 CE LYS A 22 11.450 29.620 25.653 1.00 0.00 C ATOM 346 NZ LYS A 22 12.642 29.466 26.535 1.00 0.00 N ATOM 0 H LYS A 22 10.325 24.778 29.796 1.00 0.00 H new ATOM 0 HA LYS A 22 8.646 26.718 28.496 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.194 27.633 29.017 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.431 26.861 27.462 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.959 28.459 27.530 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.373 29.425 27.902 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.787 27.571 25.629 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.510 28.737 25.347 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.758 29.563 24.609 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.010 30.606 25.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.460 29.936 26.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.447 29.899 27.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.851 28.455 26.663 1.00 0.00 H new ATOM 360 N TYR A 23 10.790 24.537 27.209 1.00 0.00 N ATOM 361 CA TYR A 23 10.936 23.465 26.221 1.00 0.00 C ATOM 362 C TYR A 23 10.255 23.843 24.910 1.00 0.00 C ATOM 363 O TYR A 23 9.817 24.979 24.732 1.00 0.00 O ATOM 364 CB TYR A 23 10.354 22.159 26.763 1.00 0.00 C ATOM 365 CG TYR A 23 8.878 22.240 27.053 1.00 0.00 C ATOM 366 CD1 TYR A 23 7.962 22.123 26.023 1.00 0.00 C ATOM 367 CD2 TYR A 23 8.437 22.429 28.351 1.00 0.00 C ATOM 368 CE1 TYR A 23 6.606 22.196 26.291 1.00 0.00 C ATOM 369 CE2 TYR A 23 7.081 22.502 28.618 1.00 0.00 C ATOM 370 CZ TYR A 23 6.172 22.385 27.587 1.00 0.00 C ATOM 371 OH TYR A 23 4.824 22.459 27.853 1.00 0.00 O ATOM 0 H TYR A 23 11.650 24.764 27.708 1.00 0.00 H new ATOM 0 HA TYR A 23 11.999 23.321 26.027 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.532 21.362 26.041 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.882 21.885 27.676 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.305 21.975 25.010 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.151 22.520 29.156 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.890 22.105 25.488 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.736 22.650 29.630 1.00 0.00 H new ATOM 0 HH TYR A 23 4.687 22.593 28.814 1.00 0.00 H new ATOM 381 N GLU A 24 10.171 22.887 23.991 1.00 0.00 N ATOM 382 CA GLU A 24 9.545 23.127 22.695 1.00 0.00 C ATOM 383 C GLU A 24 8.301 22.265 22.537 1.00 0.00 C ATOM 384 O GLU A 24 8.270 21.116 22.978 1.00 0.00 O ATOM 385 CB GLU A 24 10.532 22.826 21.571 1.00 0.00 C ATOM 386 CG GLU A 24 10.130 23.533 20.280 1.00 0.00 C ATOM 387 CD GLU A 24 11.267 23.477 19.269 1.00 0.00 C ATOM 388 OE1 GLU A 24 12.422 23.243 19.683 1.00 0.00 O ATOM 389 OE2 GLU A 24 11.002 23.669 18.063 1.00 0.00 O ATOM 0 H GLU A 24 10.528 21.940 24.119 1.00 0.00 H new ATOM 0 HA GLU A 24 9.253 24.176 22.641 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.532 23.144 21.867 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.577 21.750 21.401 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.240 23.063 19.862 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.873 24.571 20.491 1.00 0.00 H new ATOM 396 N GLY A 25 7.276 22.827 21.906 1.00 0.00 N ATOM 397 CA GLY A 25 6.024 22.111 21.687 1.00 0.00 C ATOM 398 C GLY A 25 4.834 22.965 22.103 1.00 0.00 C ATOM 399 O GLY A 25 3.829 23.031 21.396 1.00 0.00 O ATOM 0 H GLY A 25 7.287 23.778 21.537 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.933 21.841 20.635 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.027 21.181 22.256 1.00 0.00 H new ATOM 403 N ASP A 26 4.952 23.618 23.255 1.00 0.00 N ATOM 404 CA ASP A 26 3.882 24.468 23.766 1.00 0.00 C ATOM 405 C ASP A 26 4.411 25.860 24.089 1.00 0.00 C ATOM 406 O ASP A 26 5.546 26.197 23.753 1.00 0.00 O ATOM 407 CB ASP A 26 3.273 23.842 25.016 1.00 0.00 C ATOM 408 CG ASP A 26 1.753 23.898 24.946 1.00 0.00 C ATOM 409 OD1 ASP A 26 1.223 24.753 24.205 1.00 0.00 O ATOM 410 OD2 ASP A 26 1.094 23.088 25.631 1.00 0.00 O ATOM 0 H ASP A 26 5.778 23.575 23.852 1.00 0.00 H new ATOM 0 HA ASP A 26 3.114 24.558 22.998 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.602 22.807 25.110 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.623 24.370 25.903 1.00 0.00 H new ATOM 415 N THR A 27 3.579 26.666 24.741 1.00 0.00 N ATOM 416 CA THR A 27 3.959 28.026 25.110 1.00 0.00 C ATOM 417 C THR A 27 3.928 28.197 26.624 1.00 0.00 C ATOM 418 O THR A 27 3.697 27.241 27.364 1.00 0.00 O ATOM 419 CB THR A 27 3.012 29.026 24.454 1.00 0.00 C ATOM 420 OG1 THR A 27 2.291 28.396 23.406 1.00 0.00 O ATOM 421 CG2 THR A 27 3.781 30.226 23.910 1.00 0.00 C ATOM 0 H THR A 27 2.636 26.401 25.025 1.00 0.00 H new ATOM 0 HA THR A 27 4.975 28.211 24.760 1.00 0.00 H new ATOM 0 HB THR A 27 2.311 29.381 25.209 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.684 29.044 22.991 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.084 30.925 23.447 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.305 30.723 24.726 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.504 29.889 23.167 1.00 0.00 H new ATOM 429 N MET A 28 4.163 29.425 27.077 1.00 0.00 N ATOM 430 CA MET A 28 4.164 29.734 28.504 1.00 0.00 C ATOM 431 C MET A 28 2.905 30.500 28.880 1.00 0.00 C ATOM 432 O MET A 28 2.620 31.554 28.312 1.00 0.00 O ATOM 433 CB MET A 28 5.388 30.570 28.849 1.00 0.00 C ATOM 434 CG MET A 28 6.679 29.817 28.544 1.00 0.00 C ATOM 435 SD MET A 28 7.860 30.820 27.629 1.00 0.00 S ATOM 436 CE MET A 28 8.785 31.571 28.977 1.00 0.00 C ATOM 0 H MET A 28 4.356 30.225 26.474 1.00 0.00 H new ATOM 0 HA MET A 28 4.191 28.799 29.064 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.366 31.501 28.283 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.362 30.838 29.905 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.133 29.488 29.478 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.446 28.920 27.969 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.557 32.224 28.569 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.109 32.155 29.601 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.250 30.790 29.578 1.00 0.00 H new ATOM 446 N ALA A 29 2.155 29.971 29.838 1.00 0.00 N ATOM 447 CA ALA A 29 0.923 30.613 30.279 1.00 0.00 C ATOM 448 C ALA A 29 0.865 30.693 31.802 1.00 0.00 C ATOM 449 O ALA A 29 0.754 31.781 32.367 1.00 0.00 O ATOM 450 CB ALA A 29 -0.276 29.839 29.745 1.00 0.00 C ATOM 0 H ALA A 29 2.377 29.102 30.323 1.00 0.00 H new ATOM 0 HA ALA A 29 0.900 31.630 29.888 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.196 30.320 30.076 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.245 29.826 28.656 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.246 28.816 30.121 1.00 0.00 H new ATOM 456 N GLU A 30 0.934 29.540 32.464 1.00 0.00 N ATOM 457 CA GLU A 30 0.883 29.497 33.925 1.00 0.00 C ATOM 458 C GLU A 30 1.855 28.456 34.474 1.00 0.00 C ATOM 459 O GLU A 30 2.470 27.705 33.716 1.00 0.00 O ATOM 460 CB GLU A 30 -0.535 29.176 34.387 1.00 0.00 C ATOM 461 CG GLU A 30 -0.901 29.964 35.642 1.00 0.00 C ATOM 462 CD GLU A 30 -2.059 30.910 35.352 1.00 0.00 C ATOM 463 OE1 GLU A 30 -2.194 31.347 34.190 1.00 0.00 O ATOM 464 OE2 GLU A 30 -2.830 31.211 36.287 1.00 0.00 O ATOM 0 H GLU A 30 1.025 28.628 32.016 1.00 0.00 H new ATOM 0 HA GLU A 30 1.175 30.475 34.306 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.241 29.409 33.590 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.622 28.108 34.587 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.175 29.278 36.444 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.037 30.531 35.989 1.00 0.00 H new ATOM 471 N VAL A 31 1.988 28.424 35.802 1.00 0.00 N ATOM 472 CA VAL A 31 2.885 27.484 36.487 1.00 0.00 C ATOM 473 C VAL A 31 3.109 27.938 37.915 1.00 0.00 C ATOM 474 O VAL A 31 3.405 29.103 38.181 1.00 0.00 O ATOM 475 CB VAL A 31 4.220 27.360 35.727 1.00 0.00 C ATOM 476 CG1 VAL A 31 4.685 28.722 35.229 1.00 0.00 C ATOM 477 CG2 VAL A 31 5.308 26.701 36.580 1.00 0.00 C ATOM 0 H VAL A 31 1.481 29.045 36.432 1.00 0.00 H new ATOM 0 HA VAL A 31 2.422 26.497 36.506 1.00 0.00 H new ATOM 0 HB VAL A 31 4.042 26.713 34.868 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.629 28.611 34.695 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.935 29.139 34.557 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.824 29.392 36.078 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.231 26.634 36.004 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.481 27.299 37.475 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.987 25.700 36.869 1.00 0.00 H new ATOM 487 N GLU A 32 2.952 26.995 38.829 1.00 0.00 N ATOM 488 CA GLU A 32 3.119 27.261 40.242 1.00 0.00 C ATOM 489 C GLU A 32 4.349 26.543 40.777 1.00 0.00 C ATOM 490 O GLU A 32 5.116 25.956 40.016 1.00 0.00 O ATOM 491 CB GLU A 32 1.902 26.777 40.992 1.00 0.00 C ATOM 492 CG GLU A 32 0.602 27.223 40.339 1.00 0.00 C ATOM 493 CD GLU A 32 0.544 28.741 40.239 1.00 0.00 C ATOM 494 OE1 GLU A 32 1.455 29.334 39.624 1.00 0.00 O ATOM 495 OE2 GLU A 32 -0.416 29.334 40.772 1.00 0.00 O ATOM 0 H GLU A 32 2.706 26.029 38.611 1.00 0.00 H new ATOM 0 HA GLU A 32 3.244 28.335 40.382 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.922 25.689 41.048 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.938 27.150 42.016 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.520 26.785 39.344 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.246 26.859 40.919 1.00 0.00 H new ATOM 502 N LEU A 33 4.526 26.581 42.095 1.00 0.00 N ATOM 503 CA LEU A 33 5.649 25.925 42.736 1.00 0.00 C ATOM 504 C LEU A 33 5.198 25.361 44.088 1.00 0.00 C ATOM 505 O LEU A 33 4.368 25.958 44.774 1.00 0.00 O ATOM 506 CB LEU A 33 6.796 26.938 42.890 1.00 0.00 C ATOM 507 CG LEU A 33 7.726 26.598 44.051 1.00 0.00 C ATOM 508 CD1 LEU A 33 8.380 25.236 43.833 1.00 0.00 C ATOM 509 CD2 LEU A 33 8.786 27.679 44.234 1.00 0.00 C ATOM 0 H LEU A 33 3.899 27.064 42.738 1.00 0.00 H new ATOM 0 HA LEU A 33 6.011 25.093 42.131 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.372 26.972 41.965 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.379 27.933 43.043 1.00 0.00 H new ATOM 0 HG LEU A 33 7.129 26.552 44.962 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.040 25.011 44.671 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.609 24.469 43.762 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.959 25.254 42.910 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.436 27.413 45.067 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.379 27.765 43.324 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.301 28.633 44.442 1.00 0.00 H new ATOM 521 N ARG A 34 5.757 24.214 44.464 1.00 0.00 N ATOM 522 CA ARG A 34 5.420 23.573 45.732 1.00 0.00 C ATOM 523 C ARG A 34 6.610 22.772 46.246 1.00 0.00 C ATOM 524 O ARG A 34 7.670 22.751 45.620 1.00 0.00 O ATOM 525 CB ARG A 34 4.210 22.659 45.555 1.00 0.00 C ATOM 526 CG ARG A 34 3.113 22.993 46.563 1.00 0.00 C ATOM 527 CD ARG A 34 2.825 21.808 47.481 1.00 0.00 C ATOM 528 NE ARG A 34 1.519 21.234 47.175 1.00 0.00 N ATOM 529 CZ ARG A 34 1.265 19.942 47.354 1.00 0.00 C ATOM 530 NH1 ARG A 34 2.112 19.029 46.899 1.00 0.00 N ATOM 531 NH2 ARG A 34 0.163 19.562 47.987 1.00 0.00 N ATOM 0 H ARG A 34 6.447 23.709 43.908 1.00 0.00 H new ATOM 0 HA ARG A 34 5.173 24.345 46.461 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.820 22.760 44.542 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.515 21.620 45.677 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.414 23.854 47.160 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.203 23.275 46.033 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.599 21.050 47.361 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.853 22.131 48.522 1.00 0.00 H new ATOM 0 HE ARG A 34 0.782 21.840 46.814 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.960 19.318 46.411 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.916 18.038 47.037 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.491 20.262 48.337 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.030 18.570 48.123 1.00 0.00 H new ATOM 545 N GLU A 35 6.435 22.113 47.387 1.00 0.00 N ATOM 546 CA GLU A 35 7.505 21.313 47.975 1.00 0.00 C ATOM 547 C GLU A 35 6.985 19.939 48.381 1.00 0.00 C ATOM 548 O GLU A 35 7.098 18.977 47.621 1.00 0.00 O ATOM 549 CB GLU A 35 8.091 22.034 49.186 1.00 0.00 C ATOM 550 CG GLU A 35 9.112 23.085 48.761 1.00 0.00 C ATOM 551 CD GLU A 35 9.069 24.276 49.709 1.00 0.00 C ATOM 552 OE1 GLU A 35 7.973 24.839 49.908 1.00 0.00 O ATOM 553 OE2 GLU A 35 10.133 24.644 50.251 1.00 0.00 O ATOM 0 H GLU A 35 5.566 22.116 47.922 1.00 0.00 H new ATOM 0 HA GLU A 35 8.289 21.178 47.229 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.290 22.509 49.752 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.565 21.310 49.849 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.112 22.650 48.757 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.903 23.414 47.743 1.00 0.00 H new ATOM 560 N HIS A 36 6.416 19.847 49.581 1.00 0.00 N ATOM 561 CA HIS A 36 5.881 18.582 50.080 1.00 0.00 C ATOM 562 C HIS A 36 5.477 18.711 51.544 1.00 0.00 C ATOM 563 O HIS A 36 5.695 17.799 52.341 1.00 0.00 O ATOM 564 CB HIS A 36 6.925 17.478 49.930 1.00 0.00 C ATOM 565 CG HIS A 36 6.437 16.319 49.118 1.00 0.00 C ATOM 566 ND1 HIS A 36 6.981 15.964 47.911 1.00 0.00 N ATOM 567 CD2 HIS A 36 5.446 15.415 49.334 1.00 0.00 C ATOM 568 CE1 HIS A 36 6.373 14.913 47.411 1.00 0.00 C ATOM 569 NE2 HIS A 36 5.424 14.547 48.257 1.00 0.00 N ATOM 0 H HIS A 36 6.314 20.632 50.225 1.00 0.00 H new ATOM 0 HA HIS A 36 4.998 18.326 49.494 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.819 17.892 49.463 1.00 0.00 H new ATOM 0 HB3 HIS A 36 7.217 17.125 50.919 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.792 15.380 50.193 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.607 14.431 46.473 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.786 13.760 48.136 1.00 0.00 H new ATOM 577 N GLY A 37 4.888 19.848 51.895 1.00 0.00 N ATOM 578 CA GLY A 37 4.455 20.093 53.267 1.00 0.00 C ATOM 579 C GLY A 37 4.104 21.562 53.470 1.00 0.00 C ATOM 580 O GLY A 37 4.691 22.239 54.313 1.00 0.00 O ATOM 0 H GLY A 37 4.699 20.615 51.250 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.589 19.473 53.496 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.246 19.804 53.960 1.00 0.00 H new ATOM 584 N SER A 38 3.141 22.048 52.693 1.00 0.00 N ATOM 585 CA SER A 38 2.708 23.438 52.787 1.00 0.00 C ATOM 586 C SER A 38 1.187 23.517 52.813 1.00 0.00 C ATOM 587 O SER A 38 0.501 22.592 52.380 1.00 0.00 O ATOM 588 CB SER A 38 3.248 24.234 51.603 1.00 0.00 C ATOM 589 OG SER A 38 3.392 25.603 51.947 1.00 0.00 O ATOM 0 H SER A 38 2.645 21.499 51.991 1.00 0.00 H new ATOM 0 HA SER A 38 3.098 23.864 53.711 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.211 23.828 51.293 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.573 24.136 50.753 1.00 0.00 H new ATOM 0 HG SER A 38 3.741 26.099 51.177 1.00 0.00 H new ATOM 595 N ASP A 39 0.665 24.629 53.322 1.00 0.00 N ATOM 596 CA ASP A 39 -0.778 24.831 53.403 1.00 0.00 C ATOM 597 C ASP A 39 -1.424 24.579 52.047 1.00 0.00 C ATOM 598 O ASP A 39 -2.553 24.097 51.967 1.00 0.00 O ATOM 599 CB ASP A 39 -1.081 26.254 53.864 1.00 0.00 C ATOM 600 CG ASP A 39 -2.262 26.257 54.826 1.00 0.00 C ATOM 601 OD1 ASP A 39 -2.040 26.080 56.042 1.00 0.00 O ATOM 602 OD2 ASP A 39 -3.407 26.436 54.361 1.00 0.00 O ATOM 0 H ASP A 39 1.220 25.404 53.685 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.189 24.126 54.125 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.204 26.680 54.352 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.303 26.883 53.002 1.00 0.00 H new ATOM 607 N GLU A 40 -0.696 24.910 50.983 1.00 0.00 N ATOM 608 CA GLU A 40 -1.180 24.727 49.618 1.00 0.00 C ATOM 609 C GLU A 40 -0.258 25.431 48.634 1.00 0.00 C ATOM 610 O GLU A 40 0.742 26.033 49.026 1.00 0.00 O ATOM 611 CB GLU A 40 -2.597 25.274 49.480 1.00 0.00 C ATOM 612 CG GLU A 40 -3.617 24.143 49.512 1.00 0.00 C ATOM 613 CD GLU A 40 -4.894 24.597 50.208 1.00 0.00 C ATOM 614 OE1 GLU A 40 -4.940 25.754 50.676 1.00 0.00 O ATOM 615 OE2 GLU A 40 -5.848 23.794 50.285 1.00 0.00 O ATOM 0 H GLU A 40 0.240 25.310 51.042 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.190 23.660 49.395 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.801 25.977 50.288 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.689 25.827 48.545 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.844 23.821 48.496 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.198 23.282 50.033 1.00 0.00 H new ATOM 622 N TRP A 41 -0.600 25.353 47.355 1.00 0.00 N ATOM 623 CA TRP A 41 0.195 25.982 46.307 1.00 0.00 C ATOM 624 C TRP A 41 0.231 27.492 46.504 1.00 0.00 C ATOM 625 O TRP A 41 -0.747 28.092 46.950 1.00 0.00 O ATOM 626 CB TRP A 41 -0.391 25.634 44.943 1.00 0.00 C ATOM 627 CG TRP A 41 -0.258 24.175 44.635 1.00 0.00 C ATOM 628 CD1 TRP A 41 -1.040 23.161 45.116 1.00 0.00 C ATOM 629 CD2 TRP A 41 0.731 23.559 43.787 1.00 0.00 C ATOM 630 NE1 TRP A 41 -0.582 21.976 44.611 1.00 0.00 N ATOM 631 CE2 TRP A 41 0.492 22.179 43.801 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.791 24.043 43.020 1.00 0.00 C ATOM 633 CZ2 TRP A 41 1.274 21.290 43.083 1.00 0.00 C ATOM 634 CZ3 TRP A 41 2.580 23.157 42.298 1.00 0.00 C ATOM 635 CH2 TRP A 41 2.324 21.792 42.331 1.00 0.00 C ATOM 0 H TRP A 41 -1.426 24.859 47.017 1.00 0.00 H new ATOM 0 HA TRP A 41 1.217 25.608 46.359 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.444 25.916 44.917 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.114 26.216 44.172 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.880 23.277 45.784 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -0.990 21.064 44.814 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.997 25.103 42.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.070 20.230 43.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.401 23.533 41.705 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.949 21.116 41.766 1.00 0.00 H new ATOM 646 N VAL A 42 1.365 28.103 46.171 1.00 0.00 N ATOM 647 CA VAL A 42 1.525 29.547 46.317 1.00 0.00 C ATOM 648 C VAL A 42 1.894 30.198 44.986 1.00 0.00 C ATOM 649 O VAL A 42 2.091 31.411 44.921 1.00 0.00 O ATOM 650 CB VAL A 42 2.601 29.848 47.356 1.00 0.00 C ATOM 651 CG1 VAL A 42 2.171 29.346 48.732 1.00 0.00 C ATOM 652 CG2 VAL A 42 3.932 29.222 46.949 1.00 0.00 C ATOM 0 H VAL A 42 2.184 27.622 45.799 1.00 0.00 H new ATOM 0 HA VAL A 42 0.573 29.962 46.648 1.00 0.00 H new ATOM 0 HB VAL A 42 2.733 30.929 47.409 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.950 29.569 49.461 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.246 29.841 49.027 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.009 28.269 48.692 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.686 29.448 47.703 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.815 28.142 46.865 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.247 29.629 45.988 1.00 0.00 H new ATOM 662 N ALA A 43 1.970 29.396 43.924 1.00 0.00 N ATOM 663 CA ALA A 43 2.298 29.902 42.603 1.00 0.00 C ATOM 664 C ALA A 43 3.673 30.566 42.589 1.00 0.00 C ATOM 665 O ALA A 43 4.034 31.308 43.502 1.00 0.00 O ATOM 666 CB ALA A 43 1.231 30.894 42.176 1.00 0.00 C ATOM 0 H ALA A 43 1.807 28.390 43.960 1.00 0.00 H new ATOM 0 HA ALA A 43 2.330 29.067 41.904 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.469 31.280 41.185 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.262 30.396 42.149 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.196 31.719 42.887 1.00 0.00 H new ATOM 672 N MET A 44 4.430 30.293 41.536 1.00 0.00 N ATOM 673 CA MET A 44 5.767 30.851 41.367 1.00 0.00 C ATOM 674 C MET A 44 5.699 32.370 41.266 1.00 0.00 C ATOM 675 O MET A 44 4.668 32.976 41.557 1.00 0.00 O ATOM 676 CB MET A 44 6.395 30.277 40.100 1.00 0.00 C ATOM 677 CG MET A 44 7.526 29.308 40.425 1.00 0.00 C ATOM 678 SD MET A 44 9.136 30.114 40.447 1.00 0.00 S ATOM 679 CE MET A 44 10.220 28.698 40.686 1.00 0.00 C ATOM 0 H MET A 44 4.137 29.680 40.775 1.00 0.00 H new ATOM 0 HA MET A 44 6.376 30.587 42.232 1.00 0.00 H new ATOM 0 HB2 MET A 44 5.632 29.764 39.515 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.777 31.090 39.482 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.339 28.849 41.396 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.535 28.504 39.689 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.966 28.935 41.445 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.631 27.840 41.011 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.721 28.460 39.747 1.00 0.00 H new ATOM 689 N THR A 45 6.804 32.980 40.848 1.00 0.00 N ATOM 690 CA THR A 45 6.872 34.431 40.705 1.00 0.00 C ATOM 691 C THR A 45 7.861 34.810 39.609 1.00 0.00 C ATOM 692 O THR A 45 9.023 34.404 39.642 1.00 0.00 O ATOM 693 CB THR A 45 7.295 35.066 42.026 1.00 0.00 C ATOM 694 OG1 THR A 45 6.419 34.654 43.065 1.00 0.00 O ATOM 695 CG2 THR A 45 7.300 36.587 41.918 1.00 0.00 C ATOM 0 H THR A 45 7.665 32.492 40.602 1.00 0.00 H new ATOM 0 HA THR A 45 5.884 34.801 40.430 1.00 0.00 H new ATOM 0 HB THR A 45 8.307 34.735 42.259 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.698 35.064 43.910 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.605 37.018 42.871 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.000 36.894 41.141 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.299 36.937 41.665 1.00 0.00 H new ATOM 703 N LYS A 46 7.396 35.593 38.639 1.00 0.00 N ATOM 704 CA LYS A 46 8.245 36.028 37.534 1.00 0.00 C ATOM 705 C LYS A 46 9.298 37.008 38.033 1.00 0.00 C ATOM 706 O LYS A 46 9.304 38.178 37.651 1.00 0.00 O ATOM 707 CB LYS A 46 7.395 36.683 36.448 1.00 0.00 C ATOM 708 CG LYS A 46 6.674 37.919 36.975 1.00 0.00 C ATOM 709 CD LYS A 46 5.416 38.213 36.164 1.00 0.00 C ATOM 710 CE LYS A 46 5.762 38.652 34.744 1.00 0.00 C ATOM 711 NZ LYS A 46 4.555 38.666 33.871 1.00 0.00 N ATOM 0 H LYS A 46 6.437 35.939 38.596 1.00 0.00 H new ATOM 0 HA LYS A 46 8.747 35.157 37.114 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.029 36.961 35.606 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.664 35.966 36.074 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.408 37.769 38.021 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.344 38.778 36.936 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.787 37.323 36.129 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.837 38.994 36.657 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.208 39.646 34.767 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.509 37.978 34.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.823 38.968 32.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.145 37.711 33.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.853 39.328 34.259 1.00 0.00 H new ATOM 725 N GLY A 47 10.188 36.524 38.891 1.00 0.00 N ATOM 726 CA GLY A 47 11.247 37.358 39.448 1.00 0.00 C ATOM 727 C GLY A 47 12.501 37.287 38.587 1.00 0.00 C ATOM 728 O GLY A 47 13.231 38.270 38.457 1.00 0.00 O ATOM 0 H GLY A 47 10.198 35.557 39.217 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.905 38.391 39.516 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.478 37.031 40.462 1.00 0.00 H new ATOM 732 N GLU A 48 12.749 36.120 38.000 1.00 0.00 N ATOM 733 CA GLU A 48 13.920 35.926 37.153 1.00 0.00 C ATOM 734 C GLU A 48 13.605 36.306 35.712 1.00 0.00 C ATOM 735 O GLU A 48 12.669 35.779 35.111 1.00 0.00 O ATOM 736 CB GLU A 48 14.375 34.472 37.220 1.00 0.00 C ATOM 737 CG GLU A 48 15.662 34.264 36.427 1.00 0.00 C ATOM 738 CD GLU A 48 16.856 34.796 37.209 1.00 0.00 C ATOM 739 OE1 GLU A 48 16.896 36.015 37.478 1.00 0.00 O ATOM 740 OE2 GLU A 48 17.749 33.993 37.552 1.00 0.00 O ATOM 0 H GLU A 48 12.155 35.296 38.095 1.00 0.00 H new ATOM 0 HA GLU A 48 14.722 36.569 37.515 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.534 34.185 38.259 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.592 33.824 36.826 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.800 33.204 36.216 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.592 34.774 35.466 1.00 0.00 H new ATOM 747 N GLY A 49 14.395 37.222 35.162 1.00 0.00 N ATOM 748 CA GLY A 49 14.204 37.674 33.788 1.00 0.00 C ATOM 749 C GLY A 49 14.610 36.586 32.804 1.00 0.00 C ATOM 750 O GLY A 49 15.677 36.652 32.194 1.00 0.00 O ATOM 0 H GLY A 49 15.174 37.667 35.647 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.160 37.943 33.630 1.00 0.00 H new ATOM 0 HA3 GLY A 49 14.795 38.572 33.610 1.00 0.00 H new ATOM 754 N GLY A 50 13.752 35.583 32.656 1.00 0.00 N ATOM 755 CA GLY A 50 14.019 34.474 31.747 1.00 0.00 C ATOM 756 C GLY A 50 13.283 33.221 32.199 1.00 0.00 C ATOM 757 O GLY A 50 12.797 32.444 31.378 1.00 0.00 O ATOM 0 H GLY A 50 12.865 35.515 33.154 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.707 34.741 30.737 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.091 34.279 31.708 1.00 0.00 H new ATOM 761 N VAL A 51 13.202 33.030 33.513 1.00 0.00 N ATOM 762 CA VAL A 51 12.522 31.870 34.076 1.00 0.00 C ATOM 763 C VAL A 51 11.779 32.252 35.348 1.00 0.00 C ATOM 764 O VAL A 51 11.744 33.420 35.734 1.00 0.00 O ATOM 765 CB VAL A 51 13.529 30.767 34.379 1.00 0.00 C ATOM 766 CG1 VAL A 51 14.079 30.176 33.082 1.00 0.00 C ATOM 767 CG2 VAL A 51 14.663 31.303 35.247 1.00 0.00 C ATOM 0 H VAL A 51 13.599 33.664 34.207 1.00 0.00 H new ATOM 0 HA VAL A 51 11.801 31.506 33.344 1.00 0.00 H new ATOM 0 HB VAL A 51 13.020 29.976 34.929 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.797 29.390 33.316 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.260 29.757 32.497 1.00 0.00 H new ATOM 0 HG13 VAL A 51 14.573 30.959 32.506 1.00 0.00 H new ATOM 0 HG21 VAL A 51 15.373 30.502 35.454 1.00 0.00 H new ATOM 0 HG22 VAL A 51 15.171 32.112 34.723 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.256 31.678 36.186 1.00 0.00 H new ATOM 777 N TRP A 52 11.175 31.258 35.990 1.00 0.00 N ATOM 778 CA TRP A 52 10.416 31.480 37.216 1.00 0.00 C ATOM 779 C TRP A 52 11.276 31.190 38.440 1.00 0.00 C ATOM 780 O TRP A 52 11.935 30.154 38.517 1.00 0.00 O ATOM 781 CB TRP A 52 9.182 30.582 37.215 1.00 0.00 C ATOM 782 CG TRP A 52 8.550 30.490 35.860 1.00 0.00 C ATOM 783 CD1 TRP A 52 8.081 29.364 35.250 1.00 0.00 C ATOM 784 CD2 TRP A 52 8.338 31.575 34.934 1.00 0.00 C ATOM 785 NE1 TRP A 52 7.584 29.703 34.022 1.00 0.00 N ATOM 786 CE2 TRP A 52 7.724 31.038 33.796 1.00 0.00 C ATOM 787 CE3 TRP A 52 8.603 32.945 34.962 1.00 0.00 C ATOM 788 CZ2 TRP A 52 7.376 31.822 32.709 1.00 0.00 C ATOM 789 CZ3 TRP A 52 8.257 33.736 33.875 1.00 0.00 C ATOM 790 CH2 TRP A 52 7.648 33.178 32.759 1.00 0.00 C ATOM 0 H TRP A 52 11.196 30.286 35.680 1.00 0.00 H new ATOM 0 HA TRP A 52 10.106 32.524 37.258 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.461 29.584 37.552 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.454 30.968 37.928 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.099 28.368 35.668 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.165 29.045 33.365 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.076 33.388 35.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.903 31.385 31.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.464 34.796 33.898 1.00 0.00 H new ATOM 0 HH2 TRP A 52 7.384 33.808 31.922 1.00 0.00 H new ATOM 801 N THR A 53 11.265 32.115 39.395 1.00 0.00 N ATOM 802 CA THR A 53 12.045 31.963 40.620 1.00 0.00 C ATOM 803 C THR A 53 11.172 32.222 41.841 1.00 0.00 C ATOM 804 O THR A 53 10.256 33.043 41.799 1.00 0.00 O ATOM 805 CB THR A 53 13.224 32.933 40.610 1.00 0.00 C ATOM 806 OG1 THR A 53 12.883 34.103 39.881 1.00 0.00 O ATOM 807 CG2 THR A 53 14.461 32.280 40.001 1.00 0.00 C ATOM 0 H THR A 53 10.724 32.978 39.345 1.00 0.00 H new ATOM 0 HA THR A 53 12.421 30.941 40.669 1.00 0.00 H new ATOM 0 HB THR A 53 13.453 33.205 41.640 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.484 34.834 40.135 1.00 0.00 H new ATOM 0 HG21 THR A 53 15.287 32.991 40.005 1.00 0.00 H new ATOM 0 HG22 THR A 53 14.735 31.402 40.587 1.00 0.00 H new ATOM 0 HG23 THR A 53 14.246 31.979 38.976 1.00 0.00 H new ATOM 815 N PHE A 54 11.464 31.518 42.930 1.00 0.00 N ATOM 816 CA PHE A 54 10.708 31.671 44.169 1.00 0.00 C ATOM 817 C PHE A 54 11.653 31.697 45.363 1.00 0.00 C ATOM 818 O PHE A 54 12.652 30.979 45.392 1.00 0.00 O ATOM 819 CB PHE A 54 9.712 30.524 44.317 1.00 0.00 C ATOM 820 CG PHE A 54 8.697 30.766 45.406 1.00 0.00 C ATOM 821 CD1 PHE A 54 7.597 31.571 45.163 1.00 0.00 C ATOM 822 CD2 PHE A 54 8.864 30.182 46.652 1.00 0.00 C ATOM 823 CE1 PHE A 54 6.665 31.792 46.163 1.00 0.00 C ATOM 824 CE2 PHE A 54 7.932 30.404 47.652 1.00 0.00 C ATOM 825 CZ PHE A 54 6.832 31.209 47.407 1.00 0.00 C ATOM 0 H PHE A 54 12.220 30.835 42.980 1.00 0.00 H new ATOM 0 HA PHE A 54 10.162 32.614 44.133 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.193 30.375 43.370 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.255 29.603 44.531 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.466 32.027 44.193 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.721 29.554 46.843 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.807 32.420 45.972 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.063 29.949 48.623 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.105 31.382 48.187 1.00 0.00 H new ATOM 835 N ASP A 55 11.334 32.532 46.347 1.00 0.00 N ATOM 836 CA ASP A 55 12.157 32.654 47.546 1.00 0.00 C ATOM 837 C ASP A 55 11.677 31.690 48.623 1.00 0.00 C ATOM 838 O ASP A 55 10.476 31.489 48.800 1.00 0.00 O ATOM 839 CB ASP A 55 12.105 34.087 48.068 1.00 0.00 C ATOM 840 CG ASP A 55 12.964 34.223 49.318 1.00 0.00 C ATOM 841 OD1 ASP A 55 12.618 33.609 50.349 1.00 0.00 O ATOM 842 OD2 ASP A 55 13.983 34.944 49.264 1.00 0.00 O ATOM 0 H ASP A 55 10.511 33.135 46.338 1.00 0.00 H new ATOM 0 HA ASP A 55 13.186 32.403 47.289 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.457 34.775 47.299 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.075 34.362 48.294 1.00 0.00 H new ATOM 847 N SER A 56 12.624 31.096 49.342 1.00 0.00 N ATOM 848 CA SER A 56 12.301 30.151 50.405 1.00 0.00 C ATOM 849 C SER A 56 13.273 30.311 51.567 1.00 0.00 C ATOM 850 O SER A 56 14.444 30.635 51.369 1.00 0.00 O ATOM 851 CB SER A 56 12.360 28.724 49.868 1.00 0.00 C ATOM 852 OG SER A 56 13.676 28.204 49.971 1.00 0.00 O ATOM 0 H SER A 56 13.623 31.253 49.207 1.00 0.00 H new ATOM 0 HA SER A 56 11.292 30.356 50.762 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.669 28.091 50.425 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.038 28.708 48.827 1.00 0.00 H new ATOM 0 HG SER A 56 14.307 28.824 49.550 1.00 0.00 H new ATOM 858 N GLU A 57 12.782 30.082 52.781 1.00 0.00 N ATOM 859 CA GLU A 57 13.609 30.201 53.977 1.00 0.00 C ATOM 860 C GLU A 57 13.211 29.151 55.006 1.00 0.00 C ATOM 861 O GLU A 57 13.315 29.378 56.211 1.00 0.00 O ATOM 862 CB GLU A 57 13.463 31.597 54.575 1.00 0.00 C ATOM 863 CG GLU A 57 13.567 32.673 53.498 1.00 0.00 C ATOM 864 CD GLU A 57 13.455 34.058 54.122 1.00 0.00 C ATOM 865 OE1 GLU A 57 13.913 34.231 55.271 1.00 0.00 O ATOM 866 OE2 GLU A 57 12.910 34.967 53.462 1.00 0.00 O ATOM 0 H GLU A 57 11.815 29.813 52.963 1.00 0.00 H new ATOM 0 HA GLU A 57 14.650 30.039 53.698 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.502 31.679 55.083 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.236 31.756 55.327 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.517 32.580 52.972 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.778 32.535 52.759 1.00 0.00 H new ATOM 873 N GLU A 58 12.757 27.999 54.524 1.00 0.00 N ATOM 874 CA GLU A 58 12.345 26.910 55.404 1.00 0.00 C ATOM 875 C GLU A 58 13.424 25.833 55.451 1.00 0.00 C ATOM 876 O GLU A 58 14.242 25.724 54.537 1.00 0.00 O ATOM 877 CB GLU A 58 11.029 26.311 54.912 1.00 0.00 C ATOM 878 CG GLU A 58 11.202 25.632 53.556 1.00 0.00 C ATOM 879 CD GLU A 58 9.869 25.574 52.823 1.00 0.00 C ATOM 880 OE1 GLU A 58 9.079 24.645 53.094 1.00 0.00 O ATOM 881 OE2 GLU A 58 9.615 26.459 51.978 1.00 0.00 O ATOM 0 H GLU A 58 12.665 27.795 53.529 1.00 0.00 H new ATOM 0 HA GLU A 58 12.201 27.306 56.409 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.662 25.587 55.640 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.276 27.095 54.835 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.931 26.179 52.958 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.594 24.624 53.693 1.00 0.00 H new ATOM 888 N PRO A 59 13.441 25.022 56.522 1.00 0.00 N ATOM 889 CA PRO A 59 14.431 23.946 56.686 1.00 0.00 C ATOM 890 C PRO A 59 14.190 22.792 55.721 1.00 0.00 C ATOM 891 O PRO A 59 15.131 22.135 55.274 1.00 0.00 O ATOM 892 CB PRO A 59 14.244 23.494 58.128 1.00 0.00 C ATOM 893 CG PRO A 59 12.842 23.860 58.475 1.00 0.00 C ATOM 894 CD PRO A 59 12.504 25.080 57.658 1.00 0.00 C ATOM 0 HA PRO A 59 15.443 24.289 56.472 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.407 22.421 58.228 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.955 23.988 58.790 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.160 23.040 58.249 1.00 0.00 H new ATOM 0 HG3 PRO A 59 12.748 24.068 59.541 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.467 25.060 57.321 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.634 25.995 58.236 1.00 0.00 H new ATOM 902 N LEU A 60 12.924 22.550 55.403 1.00 0.00 N ATOM 903 CA LEU A 60 12.553 21.474 54.490 1.00 0.00 C ATOM 904 C LEU A 60 12.747 21.915 53.046 1.00 0.00 C ATOM 905 O LEU A 60 11.930 22.654 52.497 1.00 0.00 O ATOM 906 CB LEU A 60 11.100 21.075 54.725 1.00 0.00 C ATOM 907 CG LEU A 60 10.865 20.696 56.185 1.00 0.00 C ATOM 908 CD1 LEU A 60 9.666 21.453 56.750 1.00 0.00 C ATOM 909 CD2 LEU A 60 10.660 19.190 56.320 1.00 0.00 C ATOM 0 H LEU A 60 12.135 23.085 55.765 1.00 0.00 H new ATOM 0 HA LEU A 60 13.195 20.614 54.680 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.444 21.901 54.450 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.842 20.234 54.081 1.00 0.00 H new ATOM 0 HG LEU A 60 11.748 20.976 56.759 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.515 21.169 57.792 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.851 22.525 56.689 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.775 21.205 56.173 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.494 18.938 57.367 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.794 18.887 55.732 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.546 18.668 55.957 1.00 0.00 H new ATOM 921 N GLN A 61 13.836 21.459 52.434 1.00 0.00 N ATOM 922 CA GLN A 61 14.142 21.808 51.051 1.00 0.00 C ATOM 923 C GLN A 61 14.669 20.593 50.299 1.00 0.00 C ATOM 924 O GLN A 61 15.545 19.879 50.789 1.00 0.00 O ATOM 925 CB GLN A 61 15.176 22.930 51.015 1.00 0.00 C ATOM 926 CG GLN A 61 15.400 23.432 49.592 1.00 0.00 C ATOM 927 CD GLN A 61 16.751 22.955 49.072 1.00 0.00 C ATOM 928 OE1 GLN A 61 17.037 21.758 49.065 1.00 0.00 O ATOM 929 NE2 GLN A 61 17.582 23.894 48.636 1.00 0.00 N ATOM 0 H GLN A 61 14.522 20.846 52.875 1.00 0.00 H new ATOM 0 HA GLN A 61 13.227 22.148 50.567 1.00 0.00 H new ATOM 0 HB2 GLN A 61 14.843 23.754 51.646 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.119 22.572 51.429 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.604 23.071 48.942 1.00 0.00 H new ATOM 0 HG3 GLN A 61 15.358 24.521 49.572 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.302 24.874 48.661 1.00 0.00 H new ATOM 0 HE22 GLN A 61 18.501 23.635 48.276 1.00 0.00 H new ATOM 938 N GLY A 62 14.132 20.363 49.105 1.00 0.00 N ATOM 939 CA GLY A 62 14.549 19.233 48.282 1.00 0.00 C ATOM 940 C GLY A 62 13.815 19.242 46.944 1.00 0.00 C ATOM 941 O GLY A 62 14.198 19.962 46.023 1.00 0.00 O ATOM 0 H GLY A 62 13.407 20.945 48.685 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.625 19.277 48.113 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.347 18.300 48.807 1.00 0.00 H new ATOM 945 N PRO A 63 12.746 18.436 46.821 1.00 0.00 N ATOM 946 CA PRO A 63 11.957 18.352 45.587 1.00 0.00 C ATOM 947 C PRO A 63 10.948 19.490 45.473 1.00 0.00 C ATOM 948 O PRO A 63 10.663 20.180 46.452 1.00 0.00 O ATOM 949 CB PRO A 63 11.251 17.009 45.698 1.00 0.00 C ATOM 950 CG PRO A 63 11.169 16.710 47.163 1.00 0.00 C ATOM 951 CD PRO A 63 12.220 17.543 47.865 1.00 0.00 C ATOM 0 HA PRO A 63 12.580 18.436 44.697 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.258 17.052 45.252 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.804 16.232 45.171 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.176 16.946 47.546 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.338 15.649 47.346 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.790 18.109 48.691 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.007 16.916 48.284 1.00 0.00 H new ATOM 959 N PHE A 64 10.413 19.681 44.271 1.00 0.00 N ATOM 960 CA PHE A 64 9.437 20.737 44.025 1.00 0.00 C ATOM 961 C PHE A 64 8.327 20.234 43.110 1.00 0.00 C ATOM 962 O PHE A 64 8.489 19.230 42.415 1.00 0.00 O ATOM 963 CB PHE A 64 10.125 21.942 43.390 1.00 0.00 C ATOM 964 CG PHE A 64 11.202 22.536 44.263 1.00 0.00 C ATOM 965 CD1 PHE A 64 10.861 23.334 45.344 1.00 0.00 C ATOM 966 CD2 PHE A 64 12.535 22.284 43.985 1.00 0.00 C ATOM 967 CE1 PHE A 64 11.853 23.879 46.144 1.00 0.00 C ATOM 968 CE2 PHE A 64 13.526 22.828 44.785 1.00 0.00 C ATOM 969 CZ PHE A 64 13.185 23.626 45.864 1.00 0.00 C ATOM 0 H PHE A 64 10.639 19.118 43.451 1.00 0.00 H new ATOM 0 HA PHE A 64 8.997 21.034 44.977 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.562 21.643 42.437 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.379 22.706 43.173 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.822 23.531 45.563 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.802 21.662 43.143 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.587 24.501 46.986 1.00 0.00 H new ATOM 0 HE2 PHE A 64 14.565 22.630 44.567 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.958 24.051 46.487 1.00 0.00 H new ATOM 979 N ASN A 65 7.200 20.939 43.112 1.00 0.00 N ATOM 980 CA ASN A 65 6.060 20.567 42.279 1.00 0.00 C ATOM 981 C ASN A 65 5.613 21.756 41.438 1.00 0.00 C ATOM 982 O ASN A 65 5.759 22.907 41.850 1.00 0.00 O ATOM 983 CB ASN A 65 4.906 20.089 43.156 1.00 0.00 C ATOM 984 CG ASN A 65 5.413 19.105 44.202 1.00 0.00 C ATOM 985 OD1 ASN A 65 5.165 17.903 44.110 1.00 0.00 O ATOM 986 ND2 ASN A 65 6.125 19.616 45.200 1.00 0.00 N ATOM 0 H ASN A 65 7.051 21.772 43.682 1.00 0.00 H new ATOM 0 HA ASN A 65 6.361 19.758 41.614 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.435 20.941 43.646 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.143 19.614 42.539 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.491 19.005 45.931 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.306 20.619 45.236 1.00 0.00 H new ATOM 993 N PHE A 66 5.074 21.474 40.256 1.00 0.00 N ATOM 994 CA PHE A 66 4.615 22.528 39.357 1.00 0.00 C ATOM 995 C PHE A 66 3.290 22.151 38.701 1.00 0.00 C ATOM 996 O PHE A 66 2.929 20.976 38.632 1.00 0.00 O ATOM 997 CB PHE A 66 5.665 22.779 38.280 1.00 0.00 C ATOM 998 CG PHE A 66 6.934 23.385 38.823 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.901 22.577 39.396 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.133 24.752 38.746 1.00 0.00 C ATOM 1001 CE1 PHE A 66 9.066 23.138 39.893 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.295 25.314 39.241 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.264 24.507 39.815 1.00 0.00 C ATOM 0 H PHE A 66 4.944 20.527 39.899 1.00 0.00 H new ATOM 0 HA PHE A 66 4.463 23.434 39.943 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.902 21.837 37.785 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.248 23.442 37.522 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.747 21.510 39.456 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.379 25.382 38.298 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.820 22.508 40.341 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.447 26.381 39.180 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.173 24.945 40.201 1.00 0.00 H new ATOM 1013 N ARG A 67 2.578 23.162 38.207 1.00 0.00 N ATOM 1014 CA ARG A 67 1.295 22.959 37.537 1.00 0.00 C ATOM 1015 C ARG A 67 1.056 24.074 36.531 1.00 0.00 C ATOM 1016 O ARG A 67 0.234 24.961 36.760 1.00 0.00 O ATOM 1017 CB ARG A 67 0.155 22.946 38.549 1.00 0.00 C ATOM 1018 CG ARG A 67 0.520 22.147 39.792 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.647 22.087 40.779 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.916 21.946 40.069 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.800 22.937 40.014 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.023 23.690 41.083 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.463 23.175 38.891 1.00 0.00 N ATOM 0 H ARG A 67 2.871 24.138 38.259 1.00 0.00 H new ATOM 0 HA ARG A 67 1.325 21.998 37.024 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.092 23.969 38.833 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.736 22.518 38.089 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.808 21.136 39.505 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.385 22.600 40.276 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.511 21.248 41.461 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.663 22.992 41.387 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.129 21.064 39.603 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.516 23.509 41.949 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.702 24.450 41.039 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.295 22.597 38.067 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.141 23.936 38.851 1.00 0.00 H new ATOM 1037 N PHE A 68 1.781 24.036 35.420 1.00 0.00 N ATOM 1038 CA PHE A 68 1.642 25.058 34.393 1.00 0.00 C ATOM 1039 C PHE A 68 0.313 24.931 33.676 1.00 0.00 C ATOM 1040 O PHE A 68 -0.457 24.000 33.913 1.00 0.00 O ATOM 1041 CB PHE A 68 2.781 24.962 33.385 1.00 0.00 C ATOM 1042 CG PHE A 68 2.878 23.608 32.723 1.00 0.00 C ATOM 1043 CD1 PHE A 68 1.885 23.179 31.857 1.00 0.00 C ATOM 1044 CD2 PHE A 68 3.964 22.789 32.985 1.00 0.00 C ATOM 1045 CE1 PHE A 68 1.979 21.936 31.254 1.00 0.00 C ATOM 1046 CE2 PHE A 68 4.058 21.546 32.383 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.066 21.119 31.517 1.00 0.00 C ATOM 0 H PHE A 68 2.468 23.312 35.209 1.00 0.00 H new ATOM 0 HA PHE A 68 1.681 26.030 34.884 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.644 25.725 32.619 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.723 25.181 33.889 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.037 23.815 31.652 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.739 23.121 33.660 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.205 21.604 30.579 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.906 20.909 32.589 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.140 20.150 31.047 1.00 0.00 H new ATOM 1057 N LEU A 69 0.062 25.882 32.794 1.00 0.00 N ATOM 1058 CA LEU A 69 -1.166 25.915 32.010 1.00 0.00 C ATOM 1059 C LEU A 69 -0.875 26.505 30.642 1.00 0.00 C ATOM 1060 O LEU A 69 -1.471 27.510 30.258 1.00 0.00 O ATOM 1061 CB LEU A 69 -2.227 26.755 32.719 1.00 0.00 C ATOM 1062 CG LEU A 69 -2.375 26.355 34.184 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -3.247 27.364 34.926 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -2.964 24.954 34.300 1.00 0.00 C ATOM 0 H LEU A 69 0.701 26.653 32.599 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.543 24.898 31.898 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.959 27.810 32.655 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.184 26.637 32.211 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.386 26.350 34.641 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.343 27.064 35.970 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.787 28.351 34.873 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.235 27.399 34.466 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.062 24.686 35.352 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.946 24.932 33.827 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.306 24.240 33.804 1.00 0.00 H new ATOM 1076 N THR A 70 0.063 25.870 29.925 1.00 0.00 N ATOM 1077 CA THR A 70 0.500 26.296 28.586 1.00 0.00 C ATOM 1078 C THR A 70 -0.577 27.082 27.843 1.00 0.00 C ATOM 1079 O THR A 70 -1.751 26.713 27.852 1.00 0.00 O ATOM 1080 CB THR A 70 0.897 25.073 27.769 1.00 0.00 C ATOM 1081 OG1 THR A 70 -0.137 24.104 27.817 1.00 0.00 O ATOM 1082 CG2 THR A 70 2.200 24.474 28.292 1.00 0.00 C ATOM 0 H THR A 70 0.546 25.037 30.261 1.00 0.00 H new ATOM 0 HA THR A 70 1.354 26.961 28.716 1.00 0.00 H new ATOM 0 HB THR A 70 1.051 25.382 26.735 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.253 23.216 27.960 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.465 23.602 27.694 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.995 25.216 28.223 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.071 24.175 29.332 1.00 0.00 H new ATOM 1090 N GLU A 71 -0.162 28.172 27.211 1.00 0.00 N ATOM 1091 CA GLU A 71 -1.081 29.025 26.470 1.00 0.00 C ATOM 1092 C GLU A 71 -1.903 28.200 25.485 1.00 0.00 C ATOM 1093 O GLU A 71 -2.999 28.601 25.094 1.00 0.00 O ATOM 1094 CB GLU A 71 -0.305 30.111 25.728 1.00 0.00 C ATOM 1095 CG GLU A 71 0.652 30.855 26.660 1.00 0.00 C ATOM 1096 CD GLU A 71 0.117 32.250 26.959 1.00 0.00 C ATOM 1097 OE1 GLU A 71 -1.120 32.413 27.021 1.00 0.00 O ATOM 1098 OE2 GLU A 71 0.936 33.178 27.132 1.00 0.00 O ATOM 0 H GLU A 71 0.808 28.487 27.197 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.763 29.497 27.178 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.258 29.662 24.910 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.004 30.819 25.283 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.774 30.297 27.589 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.637 30.926 26.200 1.00 0.00 H new ATOM 1105 N LYS A 72 -1.373 27.045 25.089 1.00 0.00 N ATOM 1106 CA LYS A 72 -2.069 26.169 24.150 1.00 0.00 C ATOM 1107 C LYS A 72 -1.762 24.706 24.451 1.00 0.00 C ATOM 1108 O LYS A 72 -1.092 24.031 23.670 1.00 0.00 O ATOM 1109 CB LYS A 72 -1.655 26.504 22.720 1.00 0.00 C ATOM 1110 CG LYS A 72 -2.449 25.682 21.708 1.00 0.00 C ATOM 1111 CD LYS A 72 -3.951 25.812 21.946 1.00 0.00 C ATOM 1112 CE LYS A 72 -4.737 25.587 20.658 1.00 0.00 C ATOM 1113 NZ LYS A 72 -4.934 24.135 20.389 1.00 0.00 N ATOM 0 H LYS A 72 -0.468 26.695 25.402 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.142 26.327 24.259 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.812 27.566 22.533 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.590 26.312 22.593 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.208 26.014 20.698 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.157 24.634 21.778 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.266 25.089 22.698 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.174 26.802 22.343 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.706 26.080 20.731 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.208 26.045 19.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.472 24.015 19.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.008 23.670 20.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.460 23.704 21.176 1.00 0.00 H new ATOM 1127 N GLY A 73 -2.260 24.219 25.584 1.00 0.00 N ATOM 1128 CA GLY A 73 -2.042 22.832 25.983 1.00 0.00 C ATOM 1129 C GLY A 73 -3.065 22.400 27.027 1.00 0.00 C ATOM 1130 O GLY A 73 -4.222 22.136 26.701 1.00 0.00 O ATOM 0 H GLY A 73 -2.817 24.764 26.242 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.111 22.183 25.110 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.035 22.719 26.386 1.00 0.00 H new ATOM 1134 N MET A 74 -2.632 22.328 28.283 1.00 0.00 N ATOM 1135 CA MET A 74 -3.515 21.924 29.375 1.00 0.00 C ATOM 1136 C MET A 74 -2.774 21.961 30.707 1.00 0.00 C ATOM 1137 O MET A 74 -1.611 22.357 30.772 1.00 0.00 O ATOM 1138 CB MET A 74 -4.054 20.518 29.119 1.00 0.00 C ATOM 1139 CG MET A 74 -2.962 19.591 28.593 1.00 0.00 C ATOM 1140 SD MET A 74 -3.179 19.195 26.850 1.00 0.00 S ATOM 1141 CE MET A 74 -1.510 19.454 26.231 1.00 0.00 C ATOM 0 H MET A 74 -1.677 22.544 28.570 1.00 0.00 H new ATOM 0 HA MET A 74 -4.349 22.625 29.422 1.00 0.00 H new ATOM 0 HB2 MET A 74 -4.466 20.111 30.042 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.871 20.565 28.399 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.989 20.061 28.738 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.960 18.669 29.175 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.546 19.653 25.160 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.060 20.305 26.743 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.911 18.562 26.415 1.00 0.00 H new ATOM 1151 N LYS A 75 -3.460 21.546 31.769 1.00 0.00 N ATOM 1152 CA LYS A 75 -2.874 21.531 33.109 1.00 0.00 C ATOM 1153 C LYS A 75 -2.264 20.167 33.405 1.00 0.00 C ATOM 1154 O LYS A 75 -2.419 19.225 32.627 1.00 0.00 O ATOM 1155 CB LYS A 75 -3.934 21.855 34.165 1.00 0.00 C ATOM 1156 CG LYS A 75 -4.959 22.864 33.654 1.00 0.00 C ATOM 1157 CD LYS A 75 -6.196 22.158 33.111 1.00 0.00 C ATOM 1158 CE LYS A 75 -6.771 22.896 31.906 1.00 0.00 C ATOM 1159 NZ LYS A 75 -7.625 24.041 32.331 1.00 0.00 N ATOM 0 H LYS A 75 -4.424 21.215 31.729 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.093 22.291 33.145 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.444 20.938 34.460 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.448 22.251 35.057 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.245 23.538 34.462 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.512 23.477 32.871 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.940 21.137 32.827 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.952 22.091 33.894 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.958 23.259 31.277 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.359 22.206 31.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.002 24.524 31.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.413 23.690 32.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.056 24.710 32.888 1.00 0.00 H new ATOM 1173 N ASN A 76 -1.570 20.064 34.536 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.936 18.810 34.939 1.00 0.00 C ATOM 1175 C ASN A 76 -0.047 19.026 36.159 1.00 0.00 C ATOM 1176 O ASN A 76 0.694 20.006 36.233 1.00 0.00 O ATOM 1177 CB ASN A 76 -0.103 18.250 33.788 1.00 0.00 C ATOM 1178 CG ASN A 76 -0.804 17.050 33.165 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -1.416 16.244 33.865 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -0.714 16.931 31.845 1.00 0.00 N ATOM 0 H ASN A 76 -1.432 20.834 35.190 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.719 18.097 35.197 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.053 19.021 33.034 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.882 17.956 34.152 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.163 16.147 31.372 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.196 17.624 31.305 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.119 18.099 37.111 1.00 0.00 N ATOM 1188 CA VAL A 77 0.688 18.182 38.326 1.00 0.00 C ATOM 1189 C VAL A 77 1.910 17.280 38.197 1.00 0.00 C ATOM 1190 O VAL A 77 1.804 16.122 37.792 1.00 0.00 O ATOM 1191 CB VAL A 77 -0.156 17.786 39.545 1.00 0.00 C ATOM 1192 CG1 VAL A 77 0.713 17.571 40.786 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -1.202 18.857 39.826 1.00 0.00 C ATOM 0 H VAL A 77 -0.728 17.282 37.065 1.00 0.00 H new ATOM 0 HA VAL A 77 1.028 19.208 38.464 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.651 16.843 39.314 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.081 17.292 41.629 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.433 16.775 40.593 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.246 18.492 41.021 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.796 18.567 40.693 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.706 19.806 40.027 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.854 18.965 38.959 1.00 0.00 H new ATOM 1203 N PHE A 78 3.071 17.826 38.537 1.00 0.00 N ATOM 1204 CA PHE A 78 4.320 17.088 38.456 1.00 0.00 C ATOM 1205 C PHE A 78 4.942 16.939 39.838 1.00 0.00 C ATOM 1206 O PHE A 78 4.918 17.869 40.644 1.00 0.00 O ATOM 1207 CB PHE A 78 5.274 17.822 37.525 1.00 0.00 C ATOM 1208 CG PHE A 78 4.676 18.067 36.162 1.00 0.00 C ATOM 1209 CD1 PHE A 78 3.821 19.139 35.964 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.973 17.217 35.109 1.00 0.00 C ATOM 1211 CE1 PHE A 78 3.265 19.362 34.716 1.00 0.00 C ATOM 1212 CE2 PHE A 78 4.417 17.440 33.861 1.00 0.00 C ATOM 1213 CZ PHE A 78 3.562 18.512 33.664 1.00 0.00 C ATOM 0 H PHE A 78 3.171 18.784 38.873 1.00 0.00 H new ATOM 0 HA PHE A 78 4.124 16.090 38.063 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.552 18.776 37.973 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.190 17.241 37.417 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.588 19.802 36.784 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.638 16.380 35.262 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.600 20.199 34.563 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.650 16.778 33.040 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.127 18.685 32.691 1.00 0.00 H new ATOM 1223 N ASP A 79 5.495 15.761 40.108 1.00 0.00 N ATOM 1224 CA ASP A 79 6.122 15.486 41.397 1.00 0.00 C ATOM 1225 C ASP A 79 7.547 14.987 41.199 1.00 0.00 C ATOM 1226 O ASP A 79 7.917 14.551 40.108 1.00 0.00 O ATOM 1227 CB ASP A 79 5.309 14.444 42.158 1.00 0.00 C ATOM 1228 CG ASP A 79 5.297 14.767 43.646 1.00 0.00 C ATOM 1229 OD1 ASP A 79 6.389 14.846 44.247 1.00 0.00 O ATOM 1230 OD2 ASP A 79 4.195 14.941 44.208 1.00 0.00 O ATOM 0 H ASP A 79 5.522 14.981 39.451 1.00 0.00 H new ATOM 0 HA ASP A 79 6.152 16.410 41.975 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.288 14.419 41.776 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.734 13.453 41.997 1.00 0.00 H new ATOM 1235 N ASP A 80 8.345 15.054 42.260 1.00 0.00 N ATOM 1236 CA ASP A 80 9.733 14.609 42.206 1.00 0.00 C ATOM 1237 C ASP A 80 10.451 15.248 41.024 1.00 0.00 C ATOM 1238 O ASP A 80 11.305 14.626 40.393 1.00 0.00 O ATOM 1239 CB ASP A 80 9.789 13.089 42.088 1.00 0.00 C ATOM 1240 CG ASP A 80 10.771 12.519 43.103 1.00 0.00 C ATOM 1241 OD1 ASP A 80 10.855 13.066 44.222 1.00 0.00 O ATOM 1242 OD2 ASP A 80 11.456 11.526 42.777 1.00 0.00 O ATOM 0 H ASP A 80 8.053 15.413 43.169 1.00 0.00 H new ATOM 0 HA ASP A 80 10.233 14.915 43.125 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.798 12.667 42.254 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.091 12.806 41.080 1.00 0.00 H new ATOM 1247 N VAL A 81 10.102 16.498 40.733 1.00 0.00 N ATOM 1248 CA VAL A 81 10.715 17.230 39.629 1.00 0.00 C ATOM 1249 C VAL A 81 12.126 17.701 40.004 1.00 0.00 C ATOM 1250 O VAL A 81 12.823 18.295 39.181 1.00 0.00 O ATOM 1251 CB VAL A 81 9.824 18.421 39.248 1.00 0.00 C ATOM 1252 CG1 VAL A 81 10.538 19.384 38.300 1.00 0.00 C ATOM 1253 CG2 VAL A 81 8.530 17.927 38.608 1.00 0.00 C ATOM 0 H VAL A 81 9.397 17.026 41.247 1.00 0.00 H new ATOM 0 HA VAL A 81 10.807 16.566 38.769 1.00 0.00 H new ATOM 0 HB VAL A 81 9.593 18.964 40.164 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.874 20.213 38.055 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.436 19.770 38.782 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.814 18.857 37.386 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.907 18.781 38.342 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.764 17.355 37.710 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.994 17.292 39.314 1.00 0.00 H new ATOM 1263 N VAL A 82 12.548 17.435 41.242 1.00 0.00 N ATOM 1264 CA VAL A 82 13.874 17.835 41.701 1.00 0.00 C ATOM 1265 C VAL A 82 14.338 16.909 42.826 1.00 0.00 C ATOM 1266 O VAL A 82 13.593 16.649 43.770 1.00 0.00 O ATOM 1267 CB VAL A 82 13.836 19.284 42.188 1.00 0.00 C ATOM 1268 CG1 VAL A 82 15.179 19.691 42.793 1.00 0.00 C ATOM 1269 CG2 VAL A 82 13.465 20.221 41.043 1.00 0.00 C ATOM 0 H VAL A 82 11.990 16.945 41.941 1.00 0.00 H new ATOM 0 HA VAL A 82 14.579 17.759 40.873 1.00 0.00 H new ATOM 0 HB VAL A 82 13.075 19.361 42.964 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.127 20.726 43.132 1.00 0.00 H new ATOM 0 HG12 VAL A 82 15.408 19.043 43.639 1.00 0.00 H new ATOM 0 HG13 VAL A 82 15.961 19.595 42.040 1.00 0.00 H new ATOM 0 HG21 VAL A 82 13.442 21.248 41.406 1.00 0.00 H new ATOM 0 HG22 VAL A 82 14.205 20.134 40.247 1.00 0.00 H new ATOM 0 HG23 VAL A 82 12.482 19.951 40.656 1.00 0.00 H new ATOM 1279 N PRO A 83 15.578 16.392 42.739 1.00 0.00 N ATOM 1280 CA PRO A 83 16.131 15.487 43.759 1.00 0.00 C ATOM 1281 C PRO A 83 16.535 16.228 45.027 1.00 0.00 C ATOM 1282 O PRO A 83 16.413 17.450 45.111 1.00 0.00 O ATOM 1283 CB PRO A 83 17.351 14.876 43.086 1.00 0.00 C ATOM 1284 CG PRO A 83 17.769 15.864 42.047 1.00 0.00 C ATOM 1285 CD PRO A 83 16.537 16.640 41.648 1.00 0.00 C ATOM 0 HA PRO A 83 15.399 14.746 44.080 1.00 0.00 H new ATOM 0 HB2 PRO A 83 18.150 14.702 43.806 1.00 0.00 H new ATOM 0 HB3 PRO A 83 17.110 13.912 42.637 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.535 16.533 42.438 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.200 15.356 41.184 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.754 17.703 41.543 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.146 16.299 40.690 1.00 0.00 H new ATOM 1293 N GLU A 84 17.020 15.479 46.012 1.00 0.00 N ATOM 1294 CA GLU A 84 17.449 16.062 47.278 1.00 0.00 C ATOM 1295 C GLU A 84 18.643 16.980 47.054 1.00 0.00 C ATOM 1296 O GLU A 84 18.598 18.165 47.382 1.00 0.00 O ATOM 1297 CB GLU A 84 17.819 14.956 48.262 1.00 0.00 C ATOM 1298 CG GLU A 84 17.303 15.269 49.663 1.00 0.00 C ATOM 1299 CD GLU A 84 17.166 13.987 50.474 1.00 0.00 C ATOM 1300 OE1 GLU A 84 18.173 13.263 50.616 1.00 0.00 O ATOM 1301 OE2 GLU A 84 16.052 13.709 50.965 1.00 0.00 O ATOM 0 H GLU A 84 17.126 14.466 45.958 1.00 0.00 H new ATOM 0 HA GLU A 84 16.628 16.647 47.693 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.402 14.008 47.921 1.00 0.00 H new ATOM 0 HB3 GLU A 84 18.902 14.837 48.289 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.986 15.954 50.165 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.338 15.772 49.599 1.00 0.00 H new ATOM 1308 N LYS A 85 19.709 16.425 46.487 1.00 0.00 N ATOM 1309 CA LYS A 85 20.918 17.192 46.210 1.00 0.00 C ATOM 1310 C LYS A 85 21.136 17.304 44.707 1.00 0.00 C ATOM 1311 O LYS A 85 22.016 16.651 44.146 1.00 0.00 O ATOM 1312 CB LYS A 85 22.124 16.523 46.864 1.00 0.00 C ATOM 1313 CG LYS A 85 22.087 15.008 46.679 1.00 0.00 C ATOM 1314 CD LYS A 85 23.343 14.352 47.243 1.00 0.00 C ATOM 1315 CE LYS A 85 24.257 13.858 46.126 1.00 0.00 C ATOM 1316 NZ LYS A 85 25.560 14.581 46.132 1.00 0.00 N ATOM 0 H LYS A 85 19.760 15.445 46.210 1.00 0.00 H new ATOM 0 HA LYS A 85 20.801 18.193 46.624 1.00 0.00 H new ATOM 0 HB2 LYS A 85 23.042 16.922 46.432 1.00 0.00 H new ATOM 0 HB3 LYS A 85 22.142 16.761 47.928 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.206 14.600 47.175 1.00 0.00 H new ATOM 0 HG3 LYS A 85 21.994 14.771 45.619 1.00 0.00 H new ATOM 0 HD2 LYS A 85 23.880 15.066 47.867 1.00 0.00 H new ATOM 0 HD3 LYS A 85 23.063 13.516 47.884 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.432 12.788 46.243 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.766 13.998 45.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 26.159 14.223 45.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 25.393 15.599 45.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 26.038 14.427 47.043 1.00 0.00 H new ATOM 1330 N TYR A 86 20.325 18.134 44.060 1.00 0.00 N ATOM 1331 CA TYR A 86 20.421 18.335 42.618 1.00 0.00 C ATOM 1332 C TYR A 86 21.691 19.098 42.269 1.00 0.00 C ATOM 1333 O TYR A 86 22.445 19.509 43.151 1.00 0.00 O ATOM 1334 CB TYR A 86 19.203 19.104 42.119 1.00 0.00 C ATOM 1335 CG TYR A 86 19.099 20.487 42.711 1.00 0.00 C ATOM 1336 CD1 TYR A 86 19.914 21.504 42.243 1.00 0.00 C ATOM 1337 CD2 TYR A 86 18.190 20.743 43.723 1.00 0.00 C ATOM 1338 CE1 TYR A 86 19.819 22.774 42.786 1.00 0.00 C ATOM 1339 CE2 TYR A 86 18.096 22.014 44.265 1.00 0.00 C ATOM 1340 CZ TYR A 86 18.911 23.022 43.794 1.00 0.00 C ATOM 1341 OH TYR A 86 18.817 24.284 44.333 1.00 0.00 O ATOM 0 H TYR A 86 19.592 18.680 44.512 1.00 0.00 H new ATOM 0 HA TYR A 86 20.455 17.360 42.133 1.00 0.00 H new ATOM 0 HB2 TYR A 86 19.249 19.182 41.033 1.00 0.00 H new ATOM 0 HB3 TYR A 86 18.301 18.542 42.361 1.00 0.00 H new ATOM 0 HD1 TYR A 86 20.624 21.306 41.454 1.00 0.00 H new ATOM 0 HD2 TYR A 86 17.554 19.951 44.090 1.00 0.00 H new ATOM 0 HE1 TYR A 86 20.454 23.568 42.421 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.387 22.215 45.054 1.00 0.00 H new ATOM 0 HH TYR A 86 18.129 24.291 45.031 1.00 0.00 H new ATOM 1351 N THR A 87 21.919 19.288 40.974 1.00 0.00 N ATOM 1352 CA THR A 87 23.096 20.006 40.498 1.00 0.00 C ATOM 1353 C THR A 87 22.710 20.954 39.370 1.00 0.00 C ATOM 1354 O THR A 87 22.216 20.525 38.328 1.00 0.00 O ATOM 1355 CB THR A 87 24.149 19.016 40.010 1.00 0.00 C ATOM 1356 OG1 THR A 87 24.186 17.885 40.867 1.00 0.00 O ATOM 1357 CG2 THR A 87 25.525 19.673 39.953 1.00 0.00 C ATOM 0 H THR A 87 21.302 18.954 40.233 1.00 0.00 H new ATOM 0 HA THR A 87 23.511 20.588 41.321 1.00 0.00 H new ATOM 0 HB THR A 87 23.879 18.695 39.004 1.00 0.00 H new ATOM 0 HG1 THR A 87 24.863 17.254 40.546 1.00 0.00 H new ATOM 0 HG21 THR A 87 26.260 18.948 39.602 1.00 0.00 H new ATOM 0 HG22 THR A 87 25.496 20.520 39.268 1.00 0.00 H new ATOM 0 HG23 THR A 87 25.804 20.020 40.948 1.00 0.00 H new ATOM 1365 N ILE A 88 22.937 22.247 39.586 1.00 0.00 N ATOM 1366 CA ILE A 88 22.611 23.263 38.588 1.00 0.00 C ATOM 1367 C ILE A 88 23.158 22.865 37.220 1.00 0.00 C ATOM 1368 O ILE A 88 24.366 22.700 37.047 1.00 0.00 O ATOM 1369 CB ILE A 88 23.185 24.612 39.015 1.00 0.00 C ATOM 1370 CG1 ILE A 88 22.573 25.052 40.343 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.943 25.673 37.945 1.00 0.00 C ATOM 1372 CD1 ILE A 88 23.486 24.708 41.516 1.00 0.00 C ATOM 0 H ILE A 88 23.346 22.617 40.444 1.00 0.00 H new ATOM 0 HA ILE A 88 21.527 23.345 38.513 1.00 0.00 H new ATOM 0 HB ILE A 88 24.261 24.497 39.143 1.00 0.00 H new ATOM 0 HG12 ILE A 88 22.392 26.127 40.324 1.00 0.00 H new ATOM 0 HG13 ILE A 88 21.606 24.568 40.478 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.362 26.624 38.274 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.423 25.368 37.015 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.871 25.786 37.780 1.00 0.00 H new ATOM 0 HD11 ILE A 88 23.021 25.034 42.447 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.646 23.630 41.549 1.00 0.00 H new ATOM 0 HD13 ILE A 88 24.444 25.213 41.392 1.00 0.00 H new ATOM 1384 N GLY A 89 22.258 22.709 36.254 1.00 0.00 N ATOM 1385 CA GLY A 89 22.641 22.328 34.899 1.00 0.00 C ATOM 1386 C GLY A 89 22.295 20.869 34.635 1.00 0.00 C ATOM 1387 O GLY A 89 23.170 20.060 34.323 1.00 0.00 O ATOM 0 H GLY A 89 21.255 22.841 36.385 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.129 22.965 34.178 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.711 22.485 34.760 1.00 0.00 H new ATOM 1391 N ALA A 90 21.015 20.535 34.762 1.00 0.00 N ATOM 1392 CA ALA A 90 20.556 19.168 34.537 1.00 0.00 C ATOM 1393 C ALA A 90 19.035 19.108 34.524 1.00 0.00 C ATOM 1394 O ALA A 90 18.367 19.850 35.244 1.00 0.00 O ATOM 1395 CB ALA A 90 21.099 18.253 35.631 1.00 0.00 C ATOM 0 H ALA A 90 20.277 21.191 35.019 1.00 0.00 H new ATOM 0 HA ALA A 90 20.926 18.833 33.568 1.00 0.00 H new ATOM 0 HB1 ALA A 90 20.753 17.234 35.458 1.00 0.00 H new ATOM 0 HB2 ALA A 90 22.189 18.274 35.615 1.00 0.00 H new ATOM 0 HB3 ALA A 90 20.744 18.597 36.602 1.00 0.00 H new ATOM 1401 N THR A 91 18.493 18.213 33.703 1.00 0.00 N ATOM 1402 CA THR A 91 17.048 18.044 33.595 1.00 0.00 C ATOM 1403 C THR A 91 16.579 16.945 34.539 1.00 0.00 C ATOM 1404 O THR A 91 17.052 15.811 34.468 1.00 0.00 O ATOM 1405 CB THR A 91 16.671 17.691 32.160 1.00 0.00 C ATOM 1406 OG1 THR A 91 17.350 18.547 31.255 1.00 0.00 O ATOM 1407 CG2 THR A 91 15.164 17.800 31.953 1.00 0.00 C ATOM 0 H THR A 91 19.035 17.592 33.102 1.00 0.00 H new ATOM 0 HA THR A 91 16.562 18.980 33.871 1.00 0.00 H new ATOM 0 HB THR A 91 16.969 16.660 31.970 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.104 18.313 30.336 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.919 17.544 30.922 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.653 17.114 32.629 1.00 0.00 H new ATOM 0 HG23 THR A 91 14.841 18.820 32.160 1.00 0.00 H new ATOM 1415 N TYR A 92 15.653 17.288 35.429 1.00 0.00 N ATOM 1416 CA TYR A 92 15.130 16.329 36.392 1.00 0.00 C ATOM 1417 C TYR A 92 13.696 15.935 36.041 1.00 0.00 C ATOM 1418 O TYR A 92 13.475 14.949 35.338 1.00 0.00 O ATOM 1419 CB TYR A 92 15.197 16.928 37.793 1.00 0.00 C ATOM 1420 CG TYR A 92 16.614 17.123 38.270 1.00 0.00 C ATOM 1421 CD1 TYR A 92 17.410 16.025 38.551 1.00 0.00 C ATOM 1422 CD2 TYR A 92 17.125 18.401 38.420 1.00 0.00 C ATOM 1423 CE1 TYR A 92 18.713 16.206 38.982 1.00 0.00 C ATOM 1424 CE2 TYR A 92 18.429 18.580 38.850 1.00 0.00 C ATOM 1425 CZ TYR A 92 19.216 17.482 39.130 1.00 0.00 C ATOM 1426 OH TYR A 92 20.512 17.661 39.557 1.00 0.00 O ATOM 0 H TYR A 92 15.251 18.222 35.502 1.00 0.00 H new ATOM 0 HA TYR A 92 15.739 15.426 36.361 1.00 0.00 H new ATOM 0 HB2 TYR A 92 14.679 17.887 37.800 1.00 0.00 H new ATOM 0 HB3 TYR A 92 14.669 16.276 38.489 1.00 0.00 H new ATOM 0 HD1 TYR A 92 17.014 15.027 38.434 1.00 0.00 H new ATOM 0 HD2 TYR A 92 16.506 19.259 38.202 1.00 0.00 H new ATOM 0 HE1 TYR A 92 19.334 15.350 39.202 1.00 0.00 H new ATOM 0 HE2 TYR A 92 18.829 19.577 38.966 1.00 0.00 H new ATOM 0 HH TYR A 92 21.060 16.903 39.264 1.00 0.00 H new ATOM 1436 N ALA A 93 12.723 16.704 36.530 1.00 0.00 N ATOM 1437 CA ALA A 93 11.314 16.421 36.264 1.00 0.00 C ATOM 1438 C ALA A 93 10.996 14.962 36.575 1.00 0.00 C ATOM 1439 O ALA A 93 11.872 14.204 36.993 1.00 0.00 O ATOM 1440 CB ALA A 93 10.983 16.730 34.807 1.00 0.00 C ATOM 0 H ALA A 93 12.885 17.526 37.111 1.00 0.00 H new ATOM 0 HA ALA A 93 10.705 17.055 36.908 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.931 16.516 34.620 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.181 17.783 34.604 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.601 16.113 34.155 1.00 0.00 H new ATOM 1446 N PRO A 94 9.733 14.546 36.379 1.00 0.00 N ATOM 1447 CA PRO A 94 9.308 13.168 36.646 1.00 0.00 C ATOM 1448 C PRO A 94 9.702 12.222 35.518 1.00 0.00 C ATOM 1449 O PRO A 94 10.210 11.120 35.816 1.00 0.00 O ATOM 1450 CB PRO A 94 7.794 13.269 36.763 1.00 0.00 C ATOM 1451 CG PRO A 94 7.406 14.482 35.977 1.00 0.00 C ATOM 1452 CD PRO A 94 8.622 15.378 35.888 1.00 0.00 C ATOM 0 HA PRO A 94 9.780 12.761 37.540 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.311 12.376 36.368 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.487 13.363 37.805 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.065 14.200 34.981 1.00 0.00 H new ATOM 0 HG3 PRO A 94 6.580 15.004 36.461 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.797 15.709 34.864 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.499 16.274 36.496 1.00 0.00 H new TER 1460 PRO A 94